CAS
913322-57-3 Purity
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913322-57-3 Purity
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2-Pyrimidinamine,4-(4-fluorophenyl)-5,6-dimethyl-
CAS
913322-60-8
Catalog Number
ACM913322608
Category
Other Products
Molecular Weight
217.2421832
Molecular Formula
C12H12FN3
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Specification
Synonyms
4-(4-FLUOROPHENYL)-5,6-DIMETHYLPYRIMIDIN-2-AMINE
IUPAC Name
4-(4-fluorophenyl)-5,6-dimethylpyrimidin-2-amine
Canonical SMILES
CC1=C(N=C(N=C1C)N)C2=CC=C(C=C2)F
InChI Key
TWKKOZIKIPZHRG-UHFFFAOYSA-N
Exact Mass
217.10200
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of the compound with PubChem CID 53426290?
The molecular formula is C12H12FN3.
When was the compound first created?
The compound was first created on October 30, 2011.
What is the IUPAC name of the compound?
The IUPAC name is 4-(4-fluorophenyl)-5,6-dimethylpyrimidin-2-amine.
What is the InChIKey of the compound?
The InChIKey is TWKKOZIKIPZHRG-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area is 51.8 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the molecular weight of the compound?
The molecular weight is 217.24 g/mol.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 1 rotatable bond count.
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