2-[[(4-methylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C16H21N3O — CID 60672662

IUPAC2-[[(4-methylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCC(NCc2cc(=O)n3ccccc3n2)CC1
InChIInChI=1S/C16H21N3O/c1-12-5-7-13(8-6-12)17-11-14-10-16(20)19-9-3-2-4-15(19)18-14/h2-4,9-10,12-13,17H,5-8,11H2,1H3
InChIKeyFMGISEBVJZVRPZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.36
Rot. Bonds3

About 2-[[(4-methylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[(4-methylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 60672662) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[[(4-methylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(4-methylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID60672662
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[[(4-methylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCC(NCc2cc(=O)n3ccccc3n2)CC1
InChIInChI=1S/C16H21N3O/c1-12-5-7-13(8-6-12)17-11-14-10-16(20)19-9-3-2-4-15(19)18-14/h2-4,9-10,12-13,17H,5-8,11H2,1H3
InChIKeyFMGISEBVJZVRPZ-UHFFFAOYSA-N
XLogP2.36
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(4-methylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 60672662) is 2-[[(4-methylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(4-methylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(4-methylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is CC1CCC(NCc2cc(=O)n3ccccc3n2)CC1.
What is the InChIKey of 2-[[(4-methylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FMGISEBVJZVRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-5-7-13(8-6-12)17-11-14-10-16(20)19-9-3-2-4-15(19)18-14/h2-4,9-10,12-13,17H,5-8,11H2,1H3.
What are the key properties of 2-[[(4-methylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[(4-methylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 271.36 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-methylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 60672662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).