5-amino-2-(3,5-difluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide

C18H14F2N4O2 — CID 177283560

IUPAC5-amino-2-(3,5-difluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(O)cc1-c1nc(-c2cc(F)cc(F)c2)nc(C(N)=O)c1N
InChIInChI=1S/C18H14F2N4O2/c1-8-2-3-12(25)7-13(8)15-14(21)16(17(22)26)24-18(23-15)9-4-10(19)6-11(20)5-9/h2-7,25H,21H2,1H3,(H2,22,26)
InChIKeyIHLZIHPGQFAUBU-UHFFFAOYSA-N
MW356.33 g/mol
LogP2.78
Rot. Bonds3

About 5-amino-2-(3,5-difluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide

5-amino-2-(3,5-difluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 177283560) has the molecular formula C18H14F2N4O2 and a molecular weight of 356.33 g/mol. Its IUPAC name is 5-amino-2-(3,5-difluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-(3,5-difluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
PubChem CID177283560
Molecular FormulaC18H14F2N4O2
Molecular Weight356.33 g/mol
Exact Mass356.11
IUPAC Name5-amino-2-(3,5-difluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(O)cc1-c1nc(-c2cc(F)cc(F)c2)nc(C(N)=O)c1N
InChIInChI=1S/C18H14F2N4O2/c1-8-2-3-12(25)7-13(8)15-14(21)16(17(22)26)24-18(23-15)9-4-10(19)6-11(20)5-9/h2-7,25H,21H2,1H3,(H2,22,26)
InChIKeyIHLZIHPGQFAUBU-UHFFFAOYSA-N
XLogP2.78
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

9-(4-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
CID 7196852
3-Amino-6-(3,5-difluorophenyl)-4-(3-hydroxy-2,6-dimethylphenyl)pyridine-2-carboxamide
CID 170346535
5-Amino-2-(4,4-difluorocyclohexyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
CID 170346746
5-Amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
CID 177283549
5-Amino-2-(3-chloro-4-fluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
CID 177283575
5-Amino-2-(6-fluoro-2-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
CID 177283593
5-Amino-6-(5-hydroxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 177283637
9-(2-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7519656
9-(2,6-difluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7599484
2-(3-hydroxyphenyl)-8-oxo-9-(2,3,4-trifluorophenyl)-7H-purine-6-carboxamide
CID 24936725
9-(3-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 24937729
9-(2,4-difluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 53356455

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3,5-difluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-2-(3,5-difluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide (CID 177283560) is 5-amino-2-(3,5-difluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-2-(3,5-difluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-2-(3,5-difluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide is Cc1ccc(O)cc1-c1nc(-c2cc(F)cc(F)c2)nc(C(N)=O)c1N.
What is the InChIKey of 5-amino-2-(3,5-difluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is IHLZIHPGQFAUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2/c1-8-2-3-12(25)7-13(8)15-14(21)16(17(22)26)24-18(23-15)9-4-10(19)6-11(20)5-9/h2-7,25H,21H2,1H3,(H2,22,26).
What are the key properties of 5-amino-2-(3,5-difluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
5-amino-2-(3,5-difluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 356.33 g/mol, XLogP of 2.78, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3,5-difluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 177283560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).