2-[(cyclohex-3-en-1-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

C16H19N3O — CID 62670561

IUPAC2-[(cyclohex-3-en-1-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNCC2CC=CCC2)nc2ccccn12
InChIInChI=1S/C16H19N3O/c20-16-10-14(18-15-8-4-5-9-19(15)16)12-17-11-13-6-2-1-3-7-13/h1-2,4-5,8-10,13,17H,3,6-7,11-12H2
InChIKeyCFORVCBELUNWDV-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.14
Rot. Bonds4

About 2-[(cyclohex-3-en-1-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

2-[(cyclohex-3-en-1-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 62670561) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[(cyclohex-3-en-1-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(cyclohex-3-en-1-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID62670561
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-[(cyclohex-3-en-1-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNCC2CC=CCC2)nc2ccccn12
InChIInChI=1S/C16H19N3O/c20-16-10-14(18-15-8-4-5-9-19(15)16)12-17-11-13-6-2-1-3-7-13/h1-2,4-5,8-10,13,17H,3,6-7,11-12H2
InChIKeyCFORVCBELUNWDV-UHFFFAOYSA-N
XLogP2.14
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671689
2-[(thiolan-2-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 80585367
2-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60672566
2-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 168723362
2-[(2,2-dimethylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55104756
2-[(2-phenylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671040
2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]ethylurea
CID 83121210
2-[(2-pyrrolidin-1-ylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60673235
2-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62670895
2-[[(1-methylpyrazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 82881777
N-tert-butyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetamide
CID 78915598
2-[(3-methylsulfonylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62670048

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclohex-3-en-1-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(cyclohex-3-en-1-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 62670561) is 2-[(cyclohex-3-en-1-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(cyclohex-3-en-1-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(cyclohex-3-en-1-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CNCC2CC=CCC2)nc2ccccn12.
What is the InChIKey of 2-[(cyclohex-3-en-1-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CFORVCBELUNWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16-10-14(18-15-8-4-5-9-19(15)16)12-17-11-13-6-2-1-3-7-13/h1-2,4-5,8-10,13,17H,3,6-7,11-12H2.
What are the key properties of 2-[(cyclohex-3-en-1-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(cyclohex-3-en-1-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 269.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclohex-3-en-1-ylmethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 62670561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).