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

C11H16ClN3O — CID 83899203

IUPAC3-(3-aminopropyl)-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESNCCCc1c(Cl)nc2n(c1=O)CCCC2
InChIInChI=1S/C11H16ClN3O/c12-10-8(4-3-6-13)11(16)15-7-2-1-5-9(15)14-10/h1-7,13H2
InChIKeyRQYYVUPJNXCNAI-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.12
Rot. Bonds3

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

3-(3-aminopropyl)-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 83899203) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-(3-aminopropyl)-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(3-aminopropyl)-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID83899203
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name3-(3-aminopropyl)-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESNCCCc1c(Cl)nc2n(c1=O)CCCC2
InChIInChI=1S/C11H16ClN3O/c12-10-8(4-3-6-13)11(16)15-7-2-1-5-9(15)14-10/h1-7,13H2
InChIKeyRQYYVUPJNXCNAI-UHFFFAOYSA-N
XLogP1.12
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-3-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 142116032
3-(2-Aminoethyl)-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83893064
3-(3-aminopropyl)-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 83893065
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
3-(1-Aminopropan-2-yl)-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83899206
2-butyl-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136284265

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(3-aminopropyl)-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 83899203) is 3-(3-aminopropyl)-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(3-aminopropyl)-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(3-aminopropyl)-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is NCCCc1c(Cl)nc2n(c1=O)CCCC2.
What is the InChIKey of 3-(3-aminopropyl)-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RQYYVUPJNXCNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c12-10-8(4-3-6-13)11(16)15-7-2-1-5-9(15)14-10/h1-7,13H2.
What are the key properties of 3-(3-aminopropyl)-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
3-(3-aminopropyl)-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 241.72 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-2-chloro-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 83899203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).