2-amino-4-(1-cyclohexylpiperidin-3-yl)-1-methyl-4,5-dihydropyrimidin-6-one

C16H28N4O — CID 145461236

IUPAC2-amino-4-(1-cyclohexylpiperidin-3-yl)-1-methyl-4,5-dihydropyrimidin-6-one
SMILESCN1C(=O)CC(C2CCCN(C3CCCCC3)C2)N=C1N
InChIInChI=1S/C16H28N4O/c1-19-15(21)10-14(18-16(19)17)12-6-5-9-20(11-12)13-7-3-2-4-8-13/h12-14H,2-11H2,1H3,(H2,17,18)
InChIKeyPMMFEWUHSYQPPL-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.58
Rot. Bonds2

About 2-amino-4-(1-cyclohexylpiperidin-3-yl)-1-methyl-4,5-dihydropyrimidin-6-one

2-amino-4-(1-cyclohexylpiperidin-3-yl)-1-methyl-4,5-dihydropyrimidin-6-one (PubChem CID 145461236) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-amino-4-(1-cyclohexylpiperidin-3-yl)-1-methyl-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(1-cyclohexylpiperidin-3-yl)-1-methyl-4,5-dihydropyrimidin-6-one
PubChem CID145461236
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-amino-4-(1-cyclohexylpiperidin-3-yl)-1-methyl-4,5-dihydropyrimidin-6-one
SMILESCN1C(=O)CC(C2CCCN(C3CCCCC3)C2)N=C1N
InChIInChI=1S/C16H28N4O/c1-19-15(21)10-14(18-16(19)17)12-6-5-9-20(11-12)13-7-3-2-4-8-13/h12-14H,2-11H2,1H3,(H2,17,18)
InChIKeyPMMFEWUHSYQPPL-UHFFFAOYSA-N
XLogP1.58
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-(1-cyclohexylpiperidin-3-yl)-1-methyl-4,5-dihydropyrimidin-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-amino-4-(1-cyclohexylpiperidin-3-yl)-1-methyl-4,5-dihydropyrimidin-6-one?
The IUPAC name of 2-amino-4-(1-cyclohexylpiperidin-3-yl)-1-methyl-4,5-dihydropyrimidin-6-one (CID 145461236) is 2-amino-4-(1-cyclohexylpiperidin-3-yl)-1-methyl-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(1-cyclohexylpiperidin-3-yl)-1-methyl-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 2-amino-4-(1-cyclohexylpiperidin-3-yl)-1-methyl-4,5-dihydropyrimidin-6-one is CN1C(=O)CC(C2CCCN(C3CCCCC3)C2)N=C1N.
What is the InChIKey of 2-amino-4-(1-cyclohexylpiperidin-3-yl)-1-methyl-4,5-dihydropyrimidin-6-one?
The InChIKey is PMMFEWUHSYQPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-19-15(21)10-14(18-16(19)17)12-6-5-9-20(11-12)13-7-3-2-4-8-13/h12-14H,2-11H2,1H3,(H2,17,18).
What are the key properties of 2-amino-4-(1-cyclohexylpiperidin-3-yl)-1-methyl-4,5-dihydropyrimidin-6-one?
2-amino-4-(1-cyclohexylpiperidin-3-yl)-1-methyl-4,5-dihydropyrimidin-6-one has a molecular weight of 292.43 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1-cyclohexylpiperidin-3-yl)-1-methyl-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 145461236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).