2-methoxy-1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine

C12H22N2O — CID 58717200

IUPAC2-methoxy-1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine
SMILESCOC1=NCCCN1C1CCC(C)CC1
InChIInChI=1S/C12H22N2O/c1-10-4-6-11(7-5-10)14-9-3-8-13-12(14)15-2/h10-11H,3-9H2,1-2H3
InChIKeyUQRIAJJQVGEBKK-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.27
Rot. Bonds1

About 2-methoxy-1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine

2-methoxy-1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine (PubChem CID 58717200) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-methoxy-1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name2-methoxy-1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine
PubChem CID58717200
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-methoxy-1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine
SMILESCOC1=NCCCN1C1CCC(C)CC1
InChIInChI=1S/C12H22N2O/c1-10-4-6-11(7-5-10)14-9-3-8-13-12(14)15-2/h10-11H,3-9H2,1-2H3
InChIKeyUQRIAJJQVGEBKK-UHFFFAOYSA-N
XLogP2.27
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine 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 2-methoxy-1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine?
The IUPAC name of 2-methoxy-1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine (CID 58717200) is 2-methoxy-1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 2-methoxy-1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 2-methoxy-1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine is COC1=NCCCN1C1CCC(C)CC1.
What is the InChIKey of 2-methoxy-1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine?
The InChIKey is UQRIAJJQVGEBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10-4-6-11(7-5-10)14-9-3-8-13-12(14)15-2/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-methoxy-1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine?
2-methoxy-1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine has a molecular weight of 210.32 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-methylcyclohexyl)-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 58717200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).