3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-pyrimidin-4-ylpyridine-2-carboxamide

C18H17N5O2 — CID 177283616

IUPAC3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-pyrimidin-4-ylpyridine-2-carboxamide
SMILESCc1ccc(O)c(C)c1-c1cc(-c2ccncn2)nc(C(N)=O)c1N
InChIInChI=1S/C18H17N5O2/c1-9-3-4-14(24)10(2)15(9)11-7-13(12-5-6-21-8-22-12)23-17(16(11)19)18(20)25/h3-8,24H,19H2,1-2H3,(H2,20,25)
InChIKeyWPWBUYMEPFWMMH-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.21
Rot. Bonds3

About 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-pyrimidin-4-ylpyridine-2-carboxamide

3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-pyrimidin-4-ylpyridine-2-carboxamide (PubChem CID 177283616) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-pyrimidin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-pyrimidin-4-ylpyridine-2-carboxamide
PubChem CID177283616
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-pyrimidin-4-ylpyridine-2-carboxamide
SMILESCc1ccc(O)c(C)c1-c1cc(-c2ccncn2)nc(C(N)=O)c1N
InChIInChI=1S/C18H17N5O2/c1-9-3-4-14(24)10(2)15(9)11-7-13(12-5-6-21-8-22-12)23-17(16(11)19)18(20)25/h3-8,24H,19H2,1-2H3,(H2,20,25)
InChIKeyWPWBUYMEPFWMMH-UHFFFAOYSA-N
XLogP2.21
TPSA128.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6'-amino-4'-ethyl-5'-(4-hydroxyphenyl)-N-methyl-[3,3'-bipyridine]-6-carboxamide
CID 122531750
2-Amino-5-[2-(1,4-diazepan-1-yl)-4-pyridinyl]-3-(3-hydroxy-2,6-dimethylphenyl)benzamide
CID 171934731
2-Amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-(2-morpholin-4-yl-4-pyridinyl)benzamide
CID 171934732
2-amino-5-[2-[(3R)-3-aminopyrrolidin-1-yl]-4-pyridinyl]-3-(3-hydroxy-2,6-dimethylphenyl)benzamide
CID 171934733
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
6-(3-Hydroxy-2,6-dimethylphenyl)-8-methyl-2-(pyridin-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 169188386
3-Amino-4-(3-hydroxy-2-methylphenyl)-1,5-naphthyridine-2-carboxamide
CID 171645002
3-Amino-4-(3-hydroxy-2,6-dimethylphenyl)-1,5-naphthyridine-2-carboxamide
CID 171645068
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-[(3R)-3-(methylamino)pyrrolidin-1-yl]-4-pyridinyl]benzamide
CID 176163891
2-Amino-3-(3-hydroxy-2,6-dimethylphenyl)-5-(2-piperazin-1-yl-4-pyridinyl)benzamide
CID 176163900

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-pyrimidin-4-ylpyridine-2-carboxamide?
The IUPAC name of 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-pyrimidin-4-ylpyridine-2-carboxamide (CID 177283616) is 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-pyrimidin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-pyrimidin-4-ylpyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-pyrimidin-4-ylpyridine-2-carboxamide is Cc1ccc(O)c(C)c1-c1cc(-c2ccncn2)nc(C(N)=O)c1N.
What is the InChIKey of 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-pyrimidin-4-ylpyridine-2-carboxamide?
The InChIKey is WPWBUYMEPFWMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-9-3-4-14(24)10(2)15(9)11-7-13(12-5-6-21-8-22-12)23-17(16(11)19)18(20)25/h3-8,24H,19H2,1-2H3,(H2,20,25).
What are the key properties of 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-pyrimidin-4-ylpyridine-2-carboxamide?
3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-pyrimidin-4-ylpyridine-2-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-hydroxy-2,6-dimethylphenyl)-6-pyrimidin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 177283616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).