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

C9H12ClN3O — CID 83886169

IUPAC2-chloro-3-(methylaminomethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCNCc1c(Cl)nc2n(c1=O)CCC2
InChIInChI=1S/C9H12ClN3O/c1-11-5-6-8(10)12-7-3-2-4-13(7)9(6)14/h11H,2-5H2,1H3
InChIKeyRKWUGJDDOSTOPN-UHFFFAOYSA-N
MW213.67 g/mol
LogP0.56
Rot. Bonds2

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

2-chloro-3-(methylaminomethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 83886169) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 2-chloro-3-(methylaminomethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-chloro-3-(methylaminomethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
PubChem CID83886169
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name2-chloro-3-(methylaminomethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCNCc1c(Cl)nc2n(c1=O)CCC2
InChIInChI=1S/C9H12ClN3O/c1-11-5-6-8(10)12-7-3-2-4-13(7)9(6)14/h11H,2-5H2,1H3
InChIKeyRKWUGJDDOSTOPN-UHFFFAOYSA-N
XLogP0.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-1-ium-3-carboxamide
CID 20438522
2-chloro-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-3-carboximidamide
CID 83885910
3-(2-aminoethyl)-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 83886170
2-Chloro-3-(methylaminomethyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83893063
2-chloro-3-[2-(methylamino)ethyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 83893066
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 2-chloro-3-(methylaminomethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-chloro-3-(methylaminomethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (CID 83886169) is 2-chloro-3-(methylaminomethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-chloro-3-(methylaminomethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-chloro-3-(methylaminomethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is CNCc1c(Cl)nc2n(c1=O)CCC2.
What is the InChIKey of 2-chloro-3-(methylaminomethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is RKWUGJDDOSTOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-11-5-6-8(10)12-7-3-2-4-13(7)9(6)14/h11H,2-5H2,1H3.
What are the key properties of 2-chloro-3-(methylaminomethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
2-chloro-3-(methylaminomethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 213.67 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(methylaminomethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 83886169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).