5-amino-2-(6-fluoro-2-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide

C17H14FN5O2 — CID 177283593

IUPAC5-amino-2-(6-fluoro-2-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(O)cc1-c1nc(-c2cccc(F)n2)nc(C(N)=O)c1N
InChIInChI=1S/C17H14FN5O2/c1-8-5-6-9(24)7-10(8)14-13(19)15(16(20)25)23-17(22-14)11-3-2-4-12(18)21-11/h2-7,24H,19H2,1H3,(H2,20,25)
InChIKeyMDSHNACHTFKALC-UHFFFAOYSA-N
MW339.33 g/mol
LogP2.04
Rot. Bonds3

About 5-amino-2-(6-fluoro-2-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide

5-amino-2-(6-fluoro-2-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 177283593) has the molecular formula C17H14FN5O2 and a molecular weight of 339.33 g/mol. Its IUPAC name is 5-amino-2-(6-fluoro-2-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-(6-fluoro-2-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
PubChem CID177283593
Molecular FormulaC17H14FN5O2
Molecular Weight339.33 g/mol
Exact Mass339.11
IUPAC Name5-amino-2-(6-fluoro-2-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(O)cc1-c1nc(-c2cccc(F)n2)nc(C(N)=O)c1N
InChIInChI=1S/C17H14FN5O2/c1-8-5-6-9(24)7-10(8)14-13(19)15(16(20)25)23-17(22-14)11-3-2-4-12(18)21-11/h2-7,24H,19H2,1H3,(H2,20,25)
InChIKeyMDSHNACHTFKALC-UHFFFAOYSA-N
XLogP2.04
TPSA128.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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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
3-Amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-[6-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 177283417
5-Amino-2-[3-fluoro-5-(trifluoromethyl)phenyl]-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
CID 177283549
5-Amino-2-(3,5-difluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
CID 177283560
5-Amino-2-(3-chloro-4-fluorophenyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
CID 177283575
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
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-(6-fluoro-2-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-2-(6-fluoro-2-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide (CID 177283593) is 5-amino-2-(6-fluoro-2-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-2-(6-fluoro-2-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-2-(6-fluoro-2-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide is Cc1ccc(O)cc1-c1nc(-c2cccc(F)n2)nc(C(N)=O)c1N.
What is the InChIKey of 5-amino-2-(6-fluoro-2-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is MDSHNACHTFKALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN5O2/c1-8-5-6-9(24)7-10(8)14-13(19)15(16(20)25)23-17(22-14)11-3-2-4-12(18)21-11/h2-7,24H,19H2,1H3,(H2,20,25).
What are the key properties of 5-amino-2-(6-fluoro-2-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
5-amino-2-(6-fluoro-2-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 339.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(6-fluoro-2-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 177283593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).