2-amino-3-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C12H19N3O — CID 142116032

IUPAC2-amino-3-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCCCCc1c(N)nc2n(c1=O)CCCC2
InChIInChI=1S/C12H19N3O/c1-2-3-6-9-11(13)14-10-7-4-5-8-15(10)12(9)16/h2-8,13H2,1H3
InChIKeyQYBBEZAIXUEOAM-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.50
Rot. Bonds3

About 2-amino-3-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

2-amino-3-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 142116032) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-3-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID142116032
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-amino-3-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCCCCc1c(N)nc2n(c1=O)CCCC2
InChIInChI=1S/C12H19N3O/c1-2-3-6-9-11(13)14-10-7-4-5-8-15(10)12(9)16/h2-8,13H2,1H3
InChIKeyQYBBEZAIXUEOAM-UHFFFAOYSA-N
XLogP1.50
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

13-Methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
CID 12485604
4H-Pyrido[1,2-a]pyrimidin-4-one, 3-acetyl-2-amino-6,7,8,9-tetrahydro-
CID 34851988
8,13-Dimethyl-1-aza-8-azoniatricyclo[7.4.0.03,7]trideca-3(7),8-dien-2-one
CID 13258455
2-Methyl-3-propyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 20789435
3-Butyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 67962404
3-Butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 89638295
Ethane;2-methyl-3-propyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 142894114
ethane;3-ethyl-9-imino-2-methyl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
CID 143923276
3-(3-Aminopropyl)-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83899203
2-Chloro-3-[2-(methylamino)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83899204
3-(2-Aminopropyl)-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83899205
4-amino-2-(piperazin-1-ylmethyl)-5-propyl-1H-pyrimidin-6-one
CID 136077463

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-amino-3-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 142116032) is 2-amino-3-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-amino-3-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-amino-3-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CCCCc1c(N)nc2n(c1=O)CCCC2.
What is the InChIKey of 2-amino-3-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QYBBEZAIXUEOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-3-6-9-11(13)14-10-7-4-5-8-15(10)12(9)16/h2-8,13H2,1H3.
What are the key properties of 2-amino-3-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
2-amino-3-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 221.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 142116032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).