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

C16H21N3O — CID 60671643

IUPAC2-[(cyclohexylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNCC2CCCCC2)nc2ccccn12
InChIInChI=1S/C16H21N3O/c20-16-10-14(18-15-8-4-5-9-19(15)16)12-17-11-13-6-2-1-3-7-13/h4-5,8-10,13,17H,1-3,6-7,11-12H2
InChIKeyJHFMAZJCZOETEP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.36
Rot. Bonds4

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

2-[(cyclohexylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 60671643) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[(cyclohexylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(cyclohexylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID60671643
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[(cyclohexylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNCC2CCCCC2)nc2ccccn12
InChIInChI=1S/C16H21N3O/c20-16-10-14(18-15-8-4-5-9-19(15)16)12-17-11-13-6-2-1-3-7-13/h4-5,8-10,13,17H,1-3,6-7,11-12H2
InChIKeyJHFMAZJCZOETEP-UHFFFAOYSA-N
XLogP2.36
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-[(cyclohexylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(cyclohexylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 60671643) is 2-[(cyclohexylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(cyclohexylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(cyclohexylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CNCC2CCCCC2)nc2ccccn12.
What is the InChIKey of 2-[(cyclohexylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JHFMAZJCZOETEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c20-16-10-14(18-15-8-4-5-9-19(15)16)12-17-11-13-6-2-1-3-7-13/h4-5,8-10,13,17H,1-3,6-7,11-12H2.
What are the key properties of 2-[(cyclohexylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(cyclohexylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 271.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclohexylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 60671643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).