3-(4-methylcyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C12H17N3O3 — CID 175771449

IUPAC3-(4-methylcyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCC1CCC(n2c(=O)[nH]cc(C(N)=O)c2=O)CC1
InChIInChI=1S/C12H17N3O3/c1-7-2-4-8(5-3-7)15-11(17)9(10(13)16)6-14-12(15)18/h6-8H,2-5H2,1H3,(H2,13,16)(H,14,18)
InChIKeyGUHIQTIOXFWQGC-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.39
Rot. Bonds2

About 3-(4-methylcyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

3-(4-methylcyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 175771449) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-(4-methylcyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(4-methylcyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID175771449
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name3-(4-methylcyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCC1CCC(n2c(=O)[nH]cc(C(N)=O)c2=O)CC1
InChIInChI=1S/C12H17N3O3/c1-7-2-4-8(5-3-7)15-11(17)9(10(13)16)6-14-12(15)18/h6-8H,2-5H2,1H3,(H2,13,16)(H,14,18)
InChIKeyGUHIQTIOXFWQGC-UHFFFAOYSA-N
XLogP0.39
TPSA97.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-methylcyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylcyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-(4-methylcyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 175771449) is 3-(4-methylcyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(4-methylcyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-(4-methylcyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is CC1CCC(n2c(=O)[nH]cc(C(N)=O)c2=O)CC1.
What is the InChIKey of 3-(4-methylcyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is GUHIQTIOXFWQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7-2-4-8(5-3-7)15-11(17)9(10(13)16)6-14-12(15)18/h6-8H,2-5H2,1H3,(H2,13,16)(H,14,18).
What are the key properties of 3-(4-methylcyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
3-(4-methylcyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylcyclohexyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 175771449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).