1-(cyclohexylmethyl)-5-methylpyrimidine-2,4-dione

C12H18N2O2 — CID 10898607

IUPAC1-(cyclohexylmethyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CC2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H18N2O2/c1-9-7-14(12(16)13-11(9)15)8-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3,(H,13,15,16)
InChIKeyBAARUIIACXPYNI-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.43
Rot. Bonds2

About 1-(cyclohexylmethyl)-5-methylpyrimidine-2,4-dione

1-(cyclohexylmethyl)-5-methylpyrimidine-2,4-dione (PubChem CID 10898607) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-5-methylpyrimidine-2,4-dione
PubChem CID10898607
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(cyclohexylmethyl)-5-methylpyrimidine-2,4-dione
SMILESCc1cn(CC2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H18N2O2/c1-9-7-14(12(16)13-11(9)15)8-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3,(H,13,15,16)
InChIKeyBAARUIIACXPYNI-UHFFFAOYSA-N
XLogP1.43
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(cyclohexylmethyl)-5-methylpyrimidine-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 1-(cyclohexylmethyl)-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-(cyclohexylmethyl)-5-methylpyrimidine-2,4-dione (CID 10898607) is 1-(cyclohexylmethyl)-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(cyclohexylmethyl)-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-(cyclohexylmethyl)-5-methylpyrimidine-2,4-dione is Cc1cn(CC2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(cyclohexylmethyl)-5-methylpyrimidine-2,4-dione?
The InChIKey is BAARUIIACXPYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-7-14(12(16)13-11(9)15)8-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3,(H,13,15,16).
What are the key properties of 1-(cyclohexylmethyl)-5-methylpyrimidine-2,4-dione?
1-(cyclohexylmethyl)-5-methylpyrimidine-2,4-dione has a molecular weight of 222.29 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 10898607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).