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

C12H19N3O — CID 84687005

IUPAC3-(2-aminoethyl)-2,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2n(c(=O)c1CCN)CCCC2C
InChIInChI=1S/C12H19N3O/c1-8-4-3-7-15-11(8)14-9(2)10(5-6-13)12(15)16/h8H,3-7,13H2,1-2H3
InChIKeyCKYPQQDKLDMBCP-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.95
Rot. Bonds2

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

3-(2-aminoethyl)-2,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 84687005) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(2-aminoethyl)-2,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-2,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID84687005
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-(2-aminoethyl)-2,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2n(c(=O)c1CCN)CCCC2C
InChIInChI=1S/C12H19N3O/c1-8-4-3-7-15-11(8)14-9(2)10(5-6-13)12(15)16/h8H,3-7,13H2,1-2H3
InChIKeyCKYPQQDKLDMBCP-UHFFFAOYSA-N
XLogP0.95
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Aminoethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 11367765
6-Methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one
CID 13081389
8-Methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one
CID 13081391
3-Ethyl-2,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 154699920
10-Methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
CID 13081392
12-Methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
CID 13081394
3-Ethyl-2,8-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 14274965
2-(cyclopropylmethyl)-7-[(1-isopropyl-4-piperidinyl)carbonyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136217057
2,6-dimethyl-3-ethyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido(1,2-a)pyrimidine
CID 12527432
3-(2-Azidoethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 129823594
3-(2-Aminoethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one dihydrochloride
CID 72942019
2-(2-Methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-yl)ethylazanium dichloride
CID 164512389

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-2,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(2-aminoethyl)-2,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 84687005) is 3-(2-aminoethyl)-2,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(2-aminoethyl)-2,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(2-aminoethyl)-2,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is Cc1nc2n(c(=O)c1CCN)CCCC2C.
What is the InChIKey of 3-(2-aminoethyl)-2,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CKYPQQDKLDMBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-4-3-7-15-11(8)14-9(2)10(5-6-13)12(15)16/h8H,3-7,13H2,1-2H3.
What are the key properties of 3-(2-aminoethyl)-2,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
3-(2-aminoethyl)-2,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 221.30 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-2,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 84687005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).