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

C14H17N3O — CID 114108156

IUPAC2-[[(2-ethylcyclopropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCC1CC1NCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C14H17N3O/c1-2-10-7-12(10)15-9-11-8-14(18)17-6-4-3-5-13(17)16-11/h3-6,8,10,12,15H,2,7,9H2,1H3
InChIKeyLTRHAWIDJKHSSD-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.58
Rot. Bonds4

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

2-[[(2-ethylcyclopropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 114108156) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[[(2-ethylcyclopropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(2-ethylcyclopropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID114108156
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-[[(2-ethylcyclopropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCCC1CC1NCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C14H17N3O/c1-2-10-7-12(10)15-9-11-8-14(18)17-6-4-3-5-13(17)16-11/h3-6,8,10,12,15H,2,7,9H2,1H3
InChIKeyLTRHAWIDJKHSSD-UHFFFAOYSA-N
XLogP1.58
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(2-ethylcyclopropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-[[(2,4-dimethylcyclohexyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 63993733
2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671689
2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 60671768
2-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62670895
2-[(pentan-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60672100
2-[(ethoxyamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60702906
2-[(2,2-dimethylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55104756
2-[(2,6-dimethylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60688745
2-[(4-methylanilino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671462
2-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 168723362
2-[[(1-methylpyrazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 82881777
2-[(pent-1-yn-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 106228957

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-ethylcyclopropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(2-ethylcyclopropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 114108156) is 2-[[(2-ethylcyclopropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(2-ethylcyclopropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(2-ethylcyclopropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is CCC1CC1NCc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[[(2-ethylcyclopropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LTRHAWIDJKHSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-10-7-12(10)15-9-11-8-14(18)17-6-4-3-5-13(17)16-11/h3-6,8,10,12,15H,2,7,9H2,1H3.
What are the key properties of 2-[[(2-ethylcyclopropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[(2-ethylcyclopropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 243.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-ethylcyclopropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 114108156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).