5-hydroxy-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-4-carboxamide

C9H13N3O3 — CID 136599278

IUPAC5-hydroxy-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)CNC(=O)c1nc[nH]c(=O)c1O
InChIInChI=1S/C9H13N3O3/c1-5(2)3-10-8(14)6-7(13)9(15)12-4-11-6/h4-5,13H,3H2,1-2H3,(H,10,14)(H,11,12,15)
InChIKeyZNEOPLMXKMBOHK-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.14
Rot. Bonds3

About 5-hydroxy-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-4-carboxamide

5-hydroxy-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 136599278) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-hydroxy-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID136599278
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name5-hydroxy-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCC(C)CNC(=O)c1nc[nH]c(=O)c1O
InChIInChI=1S/C9H13N3O3/c1-5(2)3-10-8(14)6-7(13)9(15)12-4-11-6/h4-5,13H,3H2,1-2H3,(H,10,14)(H,11,12,15)
InChIKeyZNEOPLMXKMBOHK-UHFFFAOYSA-N
XLogP-0.14
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-6-oxo-N-propan-2-yl-1H-pyrimidine-4-carboxamide
CID 136501496
4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-methylpropyl)-1H-imidazole-4,5-dicarboxamide
CID 118419725
N-(2-methylpropyl)-4-oxo-1H-pyridine-2-carboxamide
CID 110848373
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
4,6-dimethyl-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 110848394
5-amino-N-(2-methylpropyl)-2H-triazole-4-carboxamide
CID 110484770
N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 110848299
4,5-dibromo-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 19508462
N-(2-methylpropyl)-2-oxo-3H-1,3-oxazole-4-carboxamide
CID 123418828
2-hydroxy-N-(2-methylpropyl)benzamide
CID 22947326
N-(2-methylpropyl)-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide
CID 114569242
N-(3-methylbutyl)-4-oxo-3H-quinazoline-7-carboxamide
CID 135633054

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 5-hydroxy-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-4-carboxamide (CID 136599278) is 5-hydroxy-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 5-hydroxy-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 5-hydroxy-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-4-carboxamide is CC(C)CNC(=O)c1nc[nH]c(=O)c1O.
What is the InChIKey of 5-hydroxy-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is ZNEOPLMXKMBOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-5(2)3-10-8(14)6-7(13)9(15)12-4-11-6/h4-5,13H,3H2,1-2H3,(H,10,14)(H,11,12,15).
What are the key properties of 5-hydroxy-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-4-carboxamide?
5-hydroxy-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-(2-methylpropyl)-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136599278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).