2-(1-methoxy-4-methylcyclohexyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one

C16H27N3O2 — CID 137017949

IUPAC2-(1-methoxy-4-methylcyclohexyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
SMILESCCCNCc1cc(=O)[nH]c(C2(OC)CCC(C)CC2)n1
InChIInChI=1S/C16H27N3O2/c1-4-9-17-11-13-10-14(20)19-15(18-13)16(21-3)7-5-12(2)6-8-16/h10,12,17H,4-9,11H2,1-3H3,(H,18,19,20)
InChIKeyWYPXMVWJMVHUIJ-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.32
Rot. Bonds6

About 2-(1-methoxy-4-methylcyclohexyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one

2-(1-methoxy-4-methylcyclohexyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one (PubChem CID 137017949) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(1-methoxy-4-methylcyclohexyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-methoxy-4-methylcyclohexyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
PubChem CID137017949
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-(1-methoxy-4-methylcyclohexyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
SMILESCCCNCc1cc(=O)[nH]c(C2(OC)CCC(C)CC2)n1
InChIInChI=1S/C16H27N3O2/c1-4-9-17-11-13-10-14(20)19-15(18-13)16(21-3)7-5-12(2)6-8-16/h10,12,17H,4-9,11H2,1-3H3,(H,18,19,20)
InChIKeyWYPXMVWJMVHUIJ-UHFFFAOYSA-N
XLogP2.32
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(1-methoxy-4-methylcyclohexyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one 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-(1-methoxy-4-methylcyclohexyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-methoxy-4-methylcyclohexyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one (CID 137017949) is 2-(1-methoxy-4-methylcyclohexyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-methoxy-4-methylcyclohexyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-methoxy-4-methylcyclohexyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one is CCCNCc1cc(=O)[nH]c(C2(OC)CCC(C)CC2)n1.
What is the InChIKey of 2-(1-methoxy-4-methylcyclohexyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one?
The InChIKey is WYPXMVWJMVHUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-9-17-11-13-10-14(20)19-15(18-13)16(21-3)7-5-12(2)6-8-16/h10,12,17H,4-9,11H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(1-methoxy-4-methylcyclohexyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one?
2-(1-methoxy-4-methylcyclohexyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one has a molecular weight of 293.41 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-4-methylcyclohexyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137017949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).