5-hydroxy-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide

C9H13N3O2 — CID 121320986

IUPAC5-hydroxy-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1ncnc(C(=O)NC(C)C)c1O
InChIInChI=1S/C9H13N3O2/c1-5(2)12-9(14)7-8(13)6(3)10-4-11-7/h4-5,13H,1-3H3,(H,12,14)
InChIKeyGBAKAOUZVJTWDY-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.63
Rot. Bonds2

About 5-hydroxy-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide

5-hydroxy-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 121320986) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 5-hydroxy-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
PubChem CID121320986
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name5-hydroxy-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1ncnc(C(=O)NC(C)C)c1O
InChIInChI=1S/C9H13N3O2/c1-5(2)12-9(14)7-8(13)6(3)10-4-11-7/h4-5,13H,1-3H3,(H,12,14)
InChIKeyGBAKAOUZVJTWDY-UHFFFAOYSA-N
XLogP0.63
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide
CID 136501496
3-hydroxy-4-methoxy-N-propan-2-ylpyridine-2-carboxamide
CID 142553714
5-methyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 110847845
5-amino-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 117214875
N-(1-aminoethyl)-3-methylpyridine-2-carboxamide
CID 173067121
4-(propan-2-ylcarbamoyl)-1,3-thiazole-5-carboxylic acid
CID 117214967
6-methyl-N,5-di(propan-2-yl)pyridine-3-carboxamide
CID 170617850
4,6-dimethyl-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 110848394
3-hydroxy-4-methoxy-N-[(2S)-3-oxobutan-2-yl]pyridine-2-carboxamide
CID 163574923
4-hydroxy-7-phenylsulfanyl-N-propan-2-ylisoquinoline-3-carboxamide
CID 69068155
5-bromo-3-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 155923574
3-hydroxy-4-methoxy-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 142046009

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-hydroxy-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide (CID 121320986) is 5-hydroxy-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-hydroxy-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-hydroxy-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide is Cc1ncnc(C(=O)NC(C)C)c1O.
What is the InChIKey of 5-hydroxy-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is GBAKAOUZVJTWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-5(2)12-9(14)7-8(13)6(3)10-4-11-7/h4-5,13H,1-3H3,(H,12,14).
What are the key properties of 5-hydroxy-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
5-hydroxy-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 195.22 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 121320986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).