5-amino-6-(5-hydroxy-2-methylphenyl)-2-phenylpyrimidine-4-carboxamide

C18H16N4O2 — CID 170346759

IUPAC5-amino-6-(5-hydroxy-2-methylphenyl)-2-phenylpyrimidine-4-carboxamide
SMILESCc1ccc(O)cc1-c1nc(-c2ccccc2)nc(C(N)=O)c1N
InChIInChI=1S/C18H16N4O2/c1-10-7-8-12(23)9-13(10)15-14(19)16(17(20)24)22-18(21-15)11-5-3-2-4-6-11/h2-9,23H,19H2,1H3,(H2,20,24)
InChIKeyMMTAECSOIIZJHL-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.51
Rot. Bonds3

About 5-amino-6-(5-hydroxy-2-methylphenyl)-2-phenylpyrimidine-4-carboxamide

5-amino-6-(5-hydroxy-2-methylphenyl)-2-phenylpyrimidine-4-carboxamide (PubChem CID 170346759) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 5-amino-6-(5-hydroxy-2-methylphenyl)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-6-(5-hydroxy-2-methylphenyl)-2-phenylpyrimidine-4-carboxamide
PubChem CID170346759
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name5-amino-6-(5-hydroxy-2-methylphenyl)-2-phenylpyrimidine-4-carboxamide
SMILESCc1ccc(O)cc1-c1nc(-c2ccccc2)nc(C(N)=O)c1N
InChIInChI=1S/C18H16N4O2/c1-10-7-8-12(23)9-13(10)15-14(19)16(17(20)24)22-18(21-15)11-5-3-2-4-6-11/h2-9,23H,19H2,1H3,(H2,20,24)
InChIKeyMMTAECSOIIZJHL-UHFFFAOYSA-N
XLogP2.51
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-hydroxyphenyl)-8-oxo-9-(2-phenylcyclopropyl)-7H-purine-6-carboxamide
CID 172457761
2-(3-hydroxyphenyl)-8-oxo-9-[2-(4-propan-2-ylphenyl)ethyl]-7H-purine-6-carboxamide
CID 172466209
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-(3,5-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-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-(2,6-difluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7599484
5-Amino-2-[2-(2,2-difluoroethylamino)-5-fluoro-3-pyridinyl]-6-(3-hydroxy-2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 170346611
5-Amino-2-(4,4-difluorocyclohexen-1-yl)-6-[5-(methoxymethoxy)-2-methylphenyl]pyrimidine-4-carboxamide
CID 170346615
5-Amino-2-(4,4-difluorocyclohexyl)-6-[5-(methoxymethoxy)-2-methylphenyl]pyrimidine-4-carboxamide
CID 170346788

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(5-hydroxy-2-methylphenyl)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 5-amino-6-(5-hydroxy-2-methylphenyl)-2-phenylpyrimidine-4-carboxamide (CID 170346759) is 5-amino-6-(5-hydroxy-2-methylphenyl)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-6-(5-hydroxy-2-methylphenyl)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-6-(5-hydroxy-2-methylphenyl)-2-phenylpyrimidine-4-carboxamide is Cc1ccc(O)cc1-c1nc(-c2ccccc2)nc(C(N)=O)c1N.
What is the InChIKey of 5-amino-6-(5-hydroxy-2-methylphenyl)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is MMTAECSOIIZJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-10-7-8-12(23)9-13(10)15-14(19)16(17(20)24)22-18(21-15)11-5-3-2-4-6-11/h2-9,23H,19H2,1H3,(H2,20,24).
What are the key properties of 5-amino-6-(5-hydroxy-2-methylphenyl)-2-phenylpyrimidine-4-carboxamide?
5-amino-6-(5-hydroxy-2-methylphenyl)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(5-hydroxy-2-methylphenyl)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 170346759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).