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

C17H16N6O2 — CID 177283715

IUPAC5-amino-2-(2-amino-4-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(O)cc1-c1nc(-c2ccnc(N)c2)nc(C(N)=O)c1N
InChIInChI=1S/C17H16N6O2/c1-8-2-3-10(24)7-11(8)14-13(19)15(16(20)25)23-17(22-14)9-4-5-21-12(18)6-9/h2-7,24H,19H2,1H3,(H2,18,21)(H2,20,25)
InChIKeyCIANBJFWOVDDDM-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.48
Rot. Bonds3

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

5-amino-2-(2-amino-4-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 177283715) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 5-amino-2-(2-amino-4-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-(2-amino-4-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
PubChem CID177283715
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC Name5-amino-2-(2-amino-4-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(O)cc1-c1nc(-c2ccnc(N)c2)nc(C(N)=O)c1N
InChIInChI=1S/C17H16N6O2/c1-8-2-3-10(24)7-11(8)14-13(19)15(16(20)25)23-17(22-14)9-4-5-21-12(18)6-9/h2-7,24H,19H2,1H3,(H2,18,21)(H2,20,25)
InChIKeyCIANBJFWOVDDDM-UHFFFAOYSA-N
XLogP1.48
TPSA154.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

Dipyridodiazepinone deriv. 61
CID 463188
Dipyridodiazepinone deriv. 58
CID 463578
6'-amino-4'-ethyl-5'-(4-hydroxyphenyl)-N-methyl-[3,3'-bipyridine]-6-carboxamide
CID 122531750
6-cyclopropyl-N-(4-hydroxy-3-propanoylphenyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165415265
6-cyclopropyl-N-(4-hydroxy-5-oxo-7,8-dihydro-6H-naphthalen-1-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165415304
2-Ethyl-13-[2-(4-hydroxyphenyl)ethyl]-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
CID 71562841
6-(6-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 127038980
7-Amino-8-(3-hydroxy-2,6-dimethylphenyl)pyrido[2,3-b]pyrazine-6-carboxamide
CID 171645242
2-Amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-(2-piperazin-1-yl-4-pyridinyl)benzamide
CID 176163900
US9579320, Example 407
CID 59199640
US9579320, Example 406
CID 59199811
4-Methyl-3-(5-(4-methylnicotinamido)pyrazin-2-yl)phenyl dimethylsulfamate
CID 70978080

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-amino-4-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-2-(2-amino-4-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide (CID 177283715) is 5-amino-2-(2-amino-4-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-2-(2-amino-4-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-2-(2-amino-4-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide is Cc1ccc(O)cc1-c1nc(-c2ccnc(N)c2)nc(C(N)=O)c1N.
What is the InChIKey of 5-amino-2-(2-amino-4-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is CIANBJFWOVDDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c1-8-2-3-10(24)7-11(8)14-13(19)15(16(20)25)23-17(22-14)9-4-5-21-12(18)6-9/h2-7,24H,19H2,1H3,(H2,18,21)(H2,20,25).
What are the key properties of 5-amino-2-(2-amino-4-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
5-amino-2-(2-amino-4-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 336.36 g/mol, XLogP of 1.48, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-amino-4-pyridinyl)-6-(5-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 177283715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).