N-(3-hydroxy-2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C9H13N3O4 — CID 65034365

IUPACN-(3-hydroxy-2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCC(CO)CNC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H13N3O4/c1-5(4-13)2-10-7(14)6-3-11-9(16)12-8(6)15/h3,5,13H,2,4H2,1H3,(H,10,14)(H2,11,12,15,16)
InChIKeyDIBQIERZKGIGJC-UHFFFAOYSA-N
MW227.22 g/mol
LogP-1.58
Rot. Bonds4

About N-(3-hydroxy-2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-(3-hydroxy-2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 65034365) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID65034365
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC NameN-(3-hydroxy-2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCC(CO)CNC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H13N3O4/c1-5(4-13)2-10-7(14)6-3-11-9(16)12-8(6)15/h3,5,13H,2,4H2,1H3,(H,10,14)(H2,11,12,15,16)
InChIKeyDIBQIERZKGIGJC-UHFFFAOYSA-N
XLogP-1.58
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylpropanoic acid
CID 62675489
N-(3-hydroxy-2,2-dimethylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 115362805
3-[[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 65492254
N-(3-hydroxy-2-methylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 65037135
N-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 60965324
N-(4-hydroxy-2-methylbutyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 66109446
N-(1-hydroxy-3-methoxypropan-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 106182249
2-[(3-hydroxy-2-methylpropyl)carbamoyl]benzoic acid
CID 65034048
N-(1H-imidazol-2-ylmethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 64529437
3-methyl-4-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]butanoic acid
CID 81063015
(2S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-methylpentanoic acid
CID 61174306
N-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110851663

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 65034365) is N-(3-hydroxy-2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is CC(CO)CNC(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is DIBQIERZKGIGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-5(4-13)2-10-7(14)6-3-11-9(16)12-8(6)15/h3,5,13H,2,4H2,1H3,(H,10,14)(H2,11,12,15,16).
What are the key properties of N-(3-hydroxy-2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(3-hydroxy-2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 227.22 g/mol, XLogP of -1.58, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 65034365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).