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

C10H14ClN3O — CID 83893066

IUPAC2-chloro-3-[2-(methylamino)ethyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCNCCc1c(Cl)nc2n(c1=O)CCC2
InChIInChI=1S/C10H14ClN3O/c1-12-5-4-7-9(11)13-8-3-2-6-14(8)10(7)15/h12H,2-6H2,1H3
InChIKeyAPWYNGNVNKWBRP-UHFFFAOYSA-N
MW227.69 g/mol
LogP0.60
Rot. Bonds3

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

2-chloro-3-[2-(methylamino)ethyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 83893066) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-3-[2-(methylamino)ethyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-chloro-3-[2-(methylamino)ethyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
PubChem CID83893066
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name2-chloro-3-[2-(methylamino)ethyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCNCCc1c(Cl)nc2n(c1=O)CCC2
InChIInChI=1S/C10H14ClN3O/c1-12-5-4-7-9(11)13-8-3-2-6-14(8)10(7)15/h12H,2-6H2,1H3
InChIKeyAPWYNGNVNKWBRP-UHFFFAOYSA-N
XLogP0.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-3-(methylaminomethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 83886169
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
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
2-Chloro-3-[2-(methylamino)ethyl]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83899204
3-(3-amino-2-methylpropyl)-2-chloro-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 83899207
3-(2-aminoethyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 115015402

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[2-(methylamino)ethyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-chloro-3-[2-(methylamino)ethyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (CID 83893066) is 2-chloro-3-[2-(methylamino)ethyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-chloro-3-[2-(methylamino)ethyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-chloro-3-[2-(methylamino)ethyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is CNCCc1c(Cl)nc2n(c1=O)CCC2.
What is the InChIKey of 2-chloro-3-[2-(methylamino)ethyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is APWYNGNVNKWBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-12-5-4-7-9(11)13-8-3-2-6-14(8)10(7)15/h12H,2-6H2,1H3.
What are the key properties of 2-chloro-3-[2-(methylamino)ethyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
2-chloro-3-[2-(methylamino)ethyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 227.69 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[2-(methylamino)ethyl]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 83893066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).