N-(2-hydroxy-4,4-dimethylpentyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

C12H19N3O4 — CID 107155229

IUPACN-(2-hydroxy-4,4-dimethylpentyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCC(C)(C)CC(O)CNC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H19N3O4/c1-12(2,3)5-7(16)6-13-10(18)8-4-9(17)15-11(19)14-8/h4,7,16H,5-6H2,1-3H3,(H,13,18)(H2,14,15,17,19)
InChIKeyHTSQJAMXFGLGTR-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.41
Rot. Bonds4

About N-(2-hydroxy-4,4-dimethylpentyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-(2-hydroxy-4,4-dimethylpentyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 107155229) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(2-hydroxy-4,4-dimethylpentyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4,4-dimethylpentyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID107155229
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC NameN-(2-hydroxy-4,4-dimethylpentyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCC(C)(C)CC(O)CNC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H19N3O4/c1-12(2,3)5-7(16)6-13-10(18)8-4-9(17)15-11(19)14-8/h4,7,16H,5-6H2,1-3H3,(H,13,18)(H2,14,15,17,19)
InChIKeyHTSQJAMXFGLGTR-UHFFFAOYSA-N
XLogP-0.41
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-(2-hydroxy-4,4-dimethylpentyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 107155229) is N-(2-hydroxy-4,4-dimethylpentyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4,4-dimethylpentyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-hydroxy-4,4-dimethylpentyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is CC(C)(C)CC(O)CNC(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-(2-hydroxy-4,4-dimethylpentyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is HTSQJAMXFGLGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-12(2,3)5-7(16)6-13-10(18)8-4-9(17)15-11(19)14-8/h4,7,16H,5-6H2,1-3H3,(H,13,18)(H2,14,15,17,19).
What are the key properties of N-(2-hydroxy-4,4-dimethylpentyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-(2-hydroxy-4,4-dimethylpentyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 269.30 g/mol, XLogP of -0.41, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4,4-dimethylpentyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 107155229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).