3-(3-amino-2-methylpropyl)-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

C11H16ClN3O — CID 83899207

IUPAC3-(3-amino-2-methylpropyl)-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCC(CN)Cc1c(Cl)nc2n(c1=O)CCC2
InChIInChI=1S/C11H16ClN3O/c1-7(6-13)5-8-10(12)14-9-3-2-4-15(9)11(8)16/h7H,2-6,13H2,1H3
InChIKeyZVQXFAROYKIEOY-UHFFFAOYSA-N
MW241.72 g/mol
LogP0.98
Rot. Bonds3

About 3-(3-amino-2-methylpropyl)-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

3-(3-amino-2-methylpropyl)-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 83899207) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-(3-amino-2-methylpropyl)-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(3-amino-2-methylpropyl)-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
PubChem CID83899207
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name3-(3-amino-2-methylpropyl)-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCC(CN)Cc1c(Cl)nc2n(c1=O)CCC2
InChIInChI=1S/C11H16ClN3O/c1-7(6-13)5-8-10(12)14-9-3-2-4-15(9)11(8)16/h7H,2-6,13H2,1H3
InChIKeyZVQXFAROYKIEOY-UHFFFAOYSA-N
XLogP0.98
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 ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-amino-2-methylpropyl)-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

8-Methyl-2-pyrrolidin-3-yl-3,5,6,7-tetrahydropyrido[2,3-d]pyrimidin-4-one;hydrochloride
CID 169149036
3-(2-aminoethyl)-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 83886170
3-(3-aminopropyl)-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 83893065
2-chloro-3-[2-(methylamino)ethyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 83893066
3-(2-aminopropyl)-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 83893067
3-(1-aminopropan-2-yl)-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 83893068

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-methylpropyl)-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(3-amino-2-methylpropyl)-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (CID 83899207) is 3-(3-amino-2-methylpropyl)-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(3-amino-2-methylpropyl)-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(3-amino-2-methylpropyl)-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is CC(CN)Cc1c(Cl)nc2n(c1=O)CCC2.
What is the InChIKey of 3-(3-amino-2-methylpropyl)-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is ZVQXFAROYKIEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-7(6-13)5-8-10(12)14-9-3-2-4-15(9)11(8)16/h7H,2-6,13H2,1H3.
What are the key properties of 3-(3-amino-2-methylpropyl)-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
3-(3-amino-2-methylpropyl)-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 241.72 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-methylpropyl)-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 83899207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).