9-(aminomethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one

C9H13N3O — CID 82409501

IUPAC9-(aminomethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one
SMILESNCc1ccc(=O)n2c1NCCC2
InChIInChI=1S/C9H13N3O/c10-6-7-2-3-8(13)12-5-1-4-11-9(7)12/h2-3,11H,1,4-6,10H2
InChIKeyMFIJPLSMEQCIOW-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.12
Rot. Bonds1

About 9-(aminomethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one

9-(aminomethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one (PubChem CID 82409501) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 9-(aminomethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one.

Molecular Properties

Compound Name9-(aminomethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one
PubChem CID82409501
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name9-(aminomethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one
SMILESNCc1ccc(=O)n2c1NCCC2
InChIInChI=1S/C9H13N3O/c10-6-7-2-3-8(13)12-5-1-4-11-9(7)12/h2-3,11H,1,4-6,10H2
InChIKeyMFIJPLSMEQCIOW-UHFFFAOYSA-N
XLogP0.12
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-(aminomethyl)-2,3-dihydro-1H-indolizin-5-one
CID 82652363
ethyl 6-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylate
CID 25067318
3-(5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridin-8-yl)propanoic acid
CID 98682157
10-(2-aminoethyl)-9-ethyl-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one
CID 98771617
5-oxo-2,3-dihydro-1H-imidazo[1,2-a]pyridine-8-carboxylic acid
CID 53337821
10-nitro-9-(trifluoromethyl)-2,3,4,5-tetrahydro-1H-pyrido[1,2-a][1,3]diazepin-7-one
CID 102492249
1-(4-aminophenyl)-1,3-diazinan-2-one;hydrochloride
CID 69400856
7-methyl-9-[(7-methyl-6,8-dioxo-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidin-9-yl)sulfanyl]-1,2,3,4-tetrahydropyrimido[1,2-c]pyrimidine-6,8-dione
CID 10668231
2-propyl-6,7,8,9-tetrahydropyrimido[1,2-a]pyrimidin-4-one
CID 136923890
1-[2-(hydroxymethyl)phenyl]-1,3-diazinan-2-one
CID 104549285
4-[[5-(aminomethyl)-2-fluorophenyl]methyl]-1,4-diazepan-2-one
CID 65361334
1-[[2-(aminomethyl)phenyl]methyl]-1,4-diazepan-5-one
CID 55134887

Frequently Asked Questions

What is the IUPAC name of 9-(aminomethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one?
The IUPAC name of 9-(aminomethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one (CID 82409501) is 9-(aminomethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one.
What is the SMILES notation for 9-(aminomethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one?
The canonical SMILES for 9-(aminomethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one is NCc1ccc(=O)n2c1NCCC2.
What is the InChIKey of 9-(aminomethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one?
The InChIKey is MFIJPLSMEQCIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-6-7-2-3-8(13)12-5-1-4-11-9(7)12/h2-3,11H,1,4-6,10H2.
What are the key properties of 9-(aminomethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one?
9-(aminomethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one has a molecular weight of 179.22 g/mol, XLogP of 0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(aminomethyl)-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidin-6-one is sourced from PubChem (CID 82409501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).