3-(aminomethyl)-9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C10H15N3O — CID 83878482

IUPAC3-(aminomethyl)-9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCCn2c1ncc(CN)c2=O
InChIInChI=1S/C10H15N3O/c1-7-3-2-4-13-9(7)12-6-8(5-11)10(13)14/h6-7H,2-5,11H2,1H3
InChIKeyZZUTYOMEZQDJOM-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.60
Rot. Bonds1

About 3-(aminomethyl)-9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

3-(aminomethyl)-9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 83878482) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(aminomethyl)-9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(aminomethyl)-9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID83878482
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-(aminomethyl)-9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCCn2c1ncc(CN)c2=O
InChIInChI=1S/C10H15N3O/c1-7-3-2-4-13-9(7)12-6-8(5-11)10(13)14/h6-7H,2-5,11H2,1H3
InChIKeyZZUTYOMEZQDJOM-UHFFFAOYSA-N
XLogP0.60
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6,7,8,9-tetrahydro-6-methyl-4-oxo-
CID 118083
4-Oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 13480639
4H-Pyrido[1,2-a]pyrimidin-4-one, 6,7,8,9-tetrahydro, 3-methyl
CID 529096
1,6-Dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide
CID 214583
6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135222505
2,3-Dimethyl-5-(piperidin-1-ylmethyl)pyrimidin-4-one
CID 141822497
8-Methyl-3-propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 170054699
3-Propan-2-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 171538616
1-Methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxamide
CID 13480644
9-Cyano-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxamide
CID 13949962
3,9-Dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 23273683
2-Amino-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83875162

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(aminomethyl)-9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 83878482) is 3-(aminomethyl)-9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(aminomethyl)-9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(aminomethyl)-9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CC1CCCn2c1ncc(CN)c2=O.
What is the InChIKey of 3-(aminomethyl)-9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZZUTYOMEZQDJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7-3-2-4-13-9(7)12-6-8(5-11)10(13)14/h6-7H,2-5,11H2,1H3.
What are the key properties of 3-(aminomethyl)-9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
3-(aminomethyl)-9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 193.25 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 83878482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).