Structure

Ethyl 2-[8-[(5-ethoxycarbonyl-4-oxo-3H-pyrimidin-2-yl)amino]octylamino]-4-oxo-3H-pyrimidine-5-carboxylate

CAS
92736-12-4
Catalog Number
ACM92736124
Category
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What is the molecular formula of Ethyl 2-[8-[(5-ethoxycarbonyl-4-oxo-3H-pyrimidin-2-yl)amino]octylamino]-4-oxo-3H-pyrimidine-5-carboxylate?

The molecular formula is C22H32N6O6.

When was the structure of Ethyl 2-[8-[(5-ethoxycarbonyl-4-oxo-3H-pyrimidin-2-yl)amino]octylamino]-4-oxo-3H-pyrimidine-5-carboxylate created?

The structure was created on March 26, 2005.

What is the InChI of Ethyl 2-[8-[(5-ethoxycarbonyl-4-oxo-3H-pyrimidin-2-yl)amino]octylamino]-4-oxo-3H-pyrimidine-5-carboxylate?

The InChI is InChI=1S/C22H32N6O6/c1-3-33-19(31)15-13-25-21(27-17(15)29)23-11-9-7-5-6-8-10-12-24-22-26-14-16(18(30)28-22)20(32)34-4-2/h13-14H,3-12H2,1-2H3,(H2,23,25,27,29)(H2,24,26,28,30).

What is the CAS number of Ethyl 2-[8-[(5-ethoxycarbonyl-4-oxo-3H-pyrimidin-2-yl)amino]octylamino]-4-oxo-3H-pyrimidine-5-carboxylate?

The CAS number is 92736-12-4.

What is the XLogP3-AA value of Ethyl 2-[8-[(5-ethoxycarbonyl-4-oxo-3H-pyrimidin-2-yl)amino]octylamino]-4-oxo-3H-pyrimidine-5-carboxylate?

The XLogP3-AA value is 1.3.

How many hydrogen bond donor counts are there in Ethyl 2-[8-[(5-ethoxycarbonyl-4-oxo-3H-pyrimidin-2-yl)amino]octylamino]-4-oxo-3H-pyrimidine-5-carboxylate?

There are 4 hydrogen bond donor counts.

What is the exact mass of Ethyl 2-[8-[(5-ethoxycarbonyl-4-oxo-3H-pyrimidin-2-yl)amino]octylamino]-4-oxo-3H-pyrimidine-5-carboxylate?

The exact mass is 476.23833276 g/mol.

How many heavy atom counts are there in Ethyl 2-[8-[(5-ethoxycarbonyl-4-oxo-3H-pyrimidin-2-yl)amino]octylamino]-4-oxo-3H-pyrimidine-5-carboxylate?

There are 34 heavy atom counts.

Is the compound is canonicalized for Ethyl 2-[8-[(5-ethoxycarbonyl-4-oxo-3H-pyrimidin-2-yl)amino]octylamino]-4-oxo-3H-pyrimidine-5-carboxylate?

Yes, the compound is canonicalized.

What is the PubChem CID of Ethyl 2-[8-[(5-ethoxycarbonyl-4-oxo-3H-pyrimidin-2-yl)amino]octylamino]-4-oxo-3H-pyrimidine-5-carboxylate?

The PubChem CID is 330112.

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