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

C17H23N3O — CID 60976295

IUPAC2-[[(4-ethylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCC1CCC(NCc2cc(=O)n3ccccc3n2)CC1
InChIInChI=1S/C17H23N3O/c1-2-13-6-8-14(9-7-13)18-12-15-11-17(21)20-10-4-3-5-16(20)19-15/h3-5,10-11,13-14,18H,2,6-9,12H2,1H3
InChIKeyZVHQRULZXILGRX-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.75
Rot. Bonds4

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

2-[[(4-ethylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 60976295) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[[(4-ethylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(4-ethylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID60976295
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[[(4-ethylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCC1CCC(NCc2cc(=O)n3ccccc3n2)CC1
InChIInChI=1S/C17H23N3O/c1-2-13-6-8-14(9-7-13)18-12-15-11-17(21)20-10-4-3-5-16(20)19-15/h3-5,10-11,13-14,18H,2,6-9,12H2,1H3
InChIKeyZVHQRULZXILGRX-UHFFFAOYSA-N
XLogP2.75
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-ethylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(4-ethylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 60976295) is 2-[[(4-ethylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(4-ethylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(4-ethylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is CCC1CCC(NCc2cc(=O)n3ccccc3n2)CC1.
What is the InChIKey of 2-[[(4-ethylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZVHQRULZXILGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-13-6-8-14(9-7-13)18-12-15-11-17(21)20-10-4-3-5-16(20)19-15/h3-5,10-11,13-14,18H,2,6-9,12H2,1H3.
What are the key properties of 2-[[(4-ethylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[(4-ethylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 285.39 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-ethylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 60976295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).