4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine

C16H13FN4 — CID 175370030

IUPAC4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine
SMILESCc1cc(-c2cnc(N)nc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C16H13FN4/c1-10-8-12(6-7-19-10)14-9-20-16(18)21-15(14)11-2-4-13(17)5-3-11/h2-9H,1H3,(H2,18,20,21)
InChIKeyJWTCTALKFMVNIC-UHFFFAOYSA-N
MW280.31 g/mol
LogP3.24
Rot. Bonds2

About 4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine

4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine (PubChem CID 175370030) has the molecular formula C16H13FN4 and a molecular weight of 280.31 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine
PubChem CID175370030
Molecular FormulaC16H13FN4
Molecular Weight280.31 g/mol
Exact Mass280.11
IUPAC Name4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine
SMILESCc1cc(-c2cnc(N)nc2-c2ccc(F)cc2)ccn1
InChIInChI=1S/C16H13FN4/c1-10-8-12(6-7-19-10)14-9-20-16(18)21-15(14)11-2-4-13(17)5-3-11/h2-9H,1H3,(H2,18,20,21)
InChIKeyJWTCTALKFMVNIC-UHFFFAOYSA-N
XLogP3.24
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine (CID 175370030) is 4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine is Cc1cc(-c2cnc(N)nc2-c2ccc(F)cc2)ccn1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine?
The InChIKey is JWTCTALKFMVNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4/c1-10-8-12(6-7-19-10)14-9-20-16(18)21-15(14)11-2-4-13(17)5-3-11/h2-9H,1H3,(H2,18,20,21).
What are the key properties of 4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine?
4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine has a molecular weight of 280.31 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(2-methyl-4-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 175370030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).