5-[cyclohexyl(methyl)amino]-1H-pyrimidine-2,4-dione

C11H17N3O2 — CID 899001

IUPAC5-[cyclohexyl(methyl)amino]-1H-pyrimidine-2,4-dione
SMILESCN(c1c[nH]c(=O)[nH]c1=O)C1CCCCC1
InChIInChI=1S/C11H17N3O2/c1-14(8-5-3-2-4-6-8)9-7-12-11(16)13-10(9)15/h7-8H,2-6H2,1H3,(H2,12,13,15,16)
InChIKeyVBIBDEGANQRBTK-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.83
Rot. Bonds2

About 5-[cyclohexyl(methyl)amino]-1H-pyrimidine-2,4-dione

5-[cyclohexyl(methyl)amino]-1H-pyrimidine-2,4-dione (PubChem CID 899001) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-[cyclohexyl(methyl)amino]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[cyclohexyl(methyl)amino]-1H-pyrimidine-2,4-dione
PubChem CID899001
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-[cyclohexyl(methyl)amino]-1H-pyrimidine-2,4-dione
SMILESCN(c1c[nH]c(=O)[nH]c1=O)C1CCCCC1
InChIInChI=1S/C11H17N3O2/c1-14(8-5-3-2-4-6-8)9-7-12-11(16)13-10(9)15/h7-8H,2-6H2,1H3,(H2,12,13,15,16)
InChIKeyVBIBDEGANQRBTK-UHFFFAOYSA-N
XLogP0.83
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[cyclohexyl(methyl)amino]-1H-pyrimidine-2,4-dione 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 5-[cyclohexyl(methyl)amino]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[cyclohexyl(methyl)amino]-1H-pyrimidine-2,4-dione (CID 899001) is 5-[cyclohexyl(methyl)amino]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[cyclohexyl(methyl)amino]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[cyclohexyl(methyl)amino]-1H-pyrimidine-2,4-dione is CN(c1c[nH]c(=O)[nH]c1=O)C1CCCCC1.
What is the InChIKey of 5-[cyclohexyl(methyl)amino]-1H-pyrimidine-2,4-dione?
The InChIKey is VBIBDEGANQRBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14(8-5-3-2-4-6-8)9-7-12-11(16)13-10(9)15/h7-8H,2-6H2,1H3,(H2,12,13,15,16).
What are the key properties of 5-[cyclohexyl(methyl)amino]-1H-pyrimidine-2,4-dione?
5-[cyclohexyl(methyl)amino]-1H-pyrimidine-2,4-dione has a molecular weight of 223.28 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclohexyl(methyl)amino]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 899001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).