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

C17H23N3O — CID 63993733

IUPAC2-[[(2,4-dimethylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCC(NCc2cc(=O)n3ccccc3n2)C(C)C1
InChIInChI=1S/C17H23N3O/c1-12-6-7-15(13(2)9-12)18-11-14-10-17(21)20-8-4-3-5-16(20)19-14/h3-5,8,10,12-13,15,18H,6-7,9,11H2,1-2H3
InChIKeySPZZMMYXMVSCDX-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.61
Rot. Bonds3

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

2-[[(2,4-dimethylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 63993733) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[[(2,4-dimethylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(2,4-dimethylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID63993733
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[[(2,4-dimethylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCC(NCc2cc(=O)n3ccccc3n2)C(C)C1
InChIInChI=1S/C17H23N3O/c1-12-6-7-15(13(2)9-12)18-11-14-10-17(21)20-8-4-3-5-16(20)19-14/h3-5,8,10,12-13,15,18H,6-7,9,11H2,1-2H3
InChIKeySPZZMMYXMVSCDX-UHFFFAOYSA-N
XLogP2.61
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2,4-dimethylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(2,4-dimethylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 63993733) is 2-[[(2,4-dimethylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(2,4-dimethylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(2,4-dimethylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is CC1CCC(NCc2cc(=O)n3ccccc3n2)C(C)C1.
What is the InChIKey of 2-[[(2,4-dimethylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SPZZMMYXMVSCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-6-7-15(13(2)9-12)18-11-14-10-17(21)20-8-4-3-5-16(20)19-14/h3-5,8,10,12-13,15,18H,6-7,9,11H2,1-2H3.
What are the key properties of 2-[[(2,4-dimethylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[(2,4-dimethylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 285.39 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,4-dimethylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 63993733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).