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

C16H21N3O2 — CID 62669152

IUPAC2-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNC2(CO)CCCCC2)nc2ccccn12
InChIInChI=1S/C16H21N3O2/c20-12-16(7-3-1-4-8-16)17-11-13-10-15(21)19-9-5-2-6-14(19)18-13/h2,5-6,9-10,17,20H,1,3-4,7-8,11-12H2
InChIKeyNJTIMFRPZLJPHV-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.48
Rot. Bonds4

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

2-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 62669152) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID62669152
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNC2(CO)CCCCC2)nc2ccccn12
InChIInChI=1S/C16H21N3O2/c20-12-16(7-3-1-4-8-16)17-11-13-10-15(21)19-9-5-2-6-14(19)18-13/h2,5-6,9-10,17,20H,1,3-4,7-8,11-12H2
InChIKeyNJTIMFRPZLJPHV-UHFFFAOYSA-N
XLogP1.48
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-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-(hydroxymethyl)cyclohexyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 62669152) is 2-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CNC2(CO)CCCCC2)nc2ccccn12.
What is the InChIKey of 2-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NJTIMFRPZLJPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-12-16(7-3-1-4-8-16)17-11-13-10-15(21)19-9-5-2-6-14(19)18-13/h2,5-6,9-10,17,20H,1,3-4,7-8,11-12H2.
What are the key properties of 2-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 287.36 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 62669152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).