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

C14H25N3O — CID 142867705

IUPAC3-(2-aminoethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;propane
SMILESCCC.Cc1nc2n(c(=O)c1CCN)CCCC2
InChIInChI=1S/C11H17N3O.C3H8/c1-8-9(5-6-12)11(15)14-7-3-2-4-10(14)13-8;1-3-2/h2-7,12H2,1H3;3H2,1-2H3
InChIKeyXPMADCWGFHHKEY-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.81
Rot. Bonds2

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

3-(2-aminoethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;propane (PubChem CID 142867705) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-(2-aminoethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;propane.

Molecular Properties

Compound Name3-(2-aminoethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;propane
PubChem CID142867705
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-(2-aminoethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;propane
SMILESCCC.Cc1nc2n(c(=O)c1CCN)CCCC2
InChIInChI=1S/C11H17N3O.C3H8/c1-8-9(5-6-12)11(15)14-7-3-2-4-10(14)13-8;1-3-2/h2-7,12H2,1H3;3H2,1-2H3
InChIKeyXPMADCWGFHHKEY-UHFFFAOYSA-N
XLogP1.81
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.81
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
13-Methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
CID 12485604
3-Ethyl-2,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 154699920
3-Ethyl-2,8-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 14274965
7-Acetyl-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796538
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
2-methyl-7-[4-(2-oxopiperidin-1-yl)butanoyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 135990843
N-[2-(2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)ethyl]-3-sulfanylpropanamide
CID 177681507
3,4,6,7,8,9-Hexahydro-1H-dipyrido[1,2-a:4',3'-d]pyrimidin-11(2H)-one
CID 609380

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;propane?
The IUPAC name of 3-(2-aminoethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;propane (CID 142867705) is 3-(2-aminoethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;propane.
What is the SMILES notation for 3-(2-aminoethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;propane?
The canonical SMILES for 3-(2-aminoethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;propane is CCC.Cc1nc2n(c(=O)c1CCN)CCCC2.
What is the InChIKey of 3-(2-aminoethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;propane?
The InChIKey is XPMADCWGFHHKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.C3H8/c1-8-9(5-6-12)11(15)14-7-3-2-4-10(14)13-8;1-3-2/h2-7,12H2,1H3;3H2,1-2H3.
What are the key properties of 3-(2-aminoethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;propane?
3-(2-aminoethyl)-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;propane has a molecular weight of 251.37 g/mol, XLogP of 1.81, 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-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;propane is sourced from PubChem (CID 142867705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).