5-amino-2-(3-chloro-4-fluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide

C18H14ClFN4O2 — CID 177283575

IUPAC5-amino-2-(3-chloro-4-fluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(O)cc1-c1nc(-c2ccc(F)c(Cl)c2)nc(C(N)=O)c1N
InChIInChI=1S/C18H14ClFN4O2/c1-8-2-4-10(25)7-11(8)15-14(21)16(17(22)26)24-18(23-15)9-3-5-13(20)12(19)6-9/h2-7,25H,21H2,1H3,(H2,22,26)
InChIKeyUSHSXCZLIFFNBD-UHFFFAOYSA-N
MW372.79 g/mol
LogP3.30
Rot. Bonds3

About 5-amino-2-(3-chloro-4-fluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide

5-amino-2-(3-chloro-4-fluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 177283575) has the molecular formula C18H14ClFN4O2 and a molecular weight of 372.79 g/mol. Its IUPAC name is 5-amino-2-(3-chloro-4-fluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-(3-chloro-4-fluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
PubChem CID177283575
Molecular FormulaC18H14ClFN4O2
Molecular Weight372.79 g/mol
Exact Mass372.08
IUPAC Name5-amino-2-(3-chloro-4-fluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(O)cc1-c1nc(-c2ccc(F)c(Cl)c2)nc(C(N)=O)c1N
InChIInChI=1S/C18H14ClFN4O2/c1-8-2-4-10(25)7-11(8)15-14(21)16(17(22)26)24-18(23-15)9-3-5-13(20)12(19)6-9/h2-7,25H,21H2,1H3,(H2,22,26)
InChIKeyUSHSXCZLIFFNBD-UHFFFAOYSA-N
XLogP3.30
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.79
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-chloro-4-fluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-2-(3-chloro-4-fluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide (CID 177283575) is 5-amino-2-(3-chloro-4-fluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-2-(3-chloro-4-fluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-2-(3-chloro-4-fluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide is Cc1ccc(O)cc1-c1nc(-c2ccc(F)c(Cl)c2)nc(C(N)=O)c1N.
What is the InChIKey of 5-amino-2-(3-chloro-4-fluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is USHSXCZLIFFNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O2/c1-8-2-4-10(25)7-11(8)15-14(21)16(17(22)26)24-18(23-15)9-3-5-13(20)12(19)6-9/h2-7,25H,21H2,1H3,(H2,22,26).
What are the key properties of 5-amino-2-(3-chloro-4-fluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
5-amino-2-(3-chloro-4-fluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 372.79 g/mol, XLogP of 3.30, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-chloro-4-fluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 177283575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).