2-pyrimidin-4-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

C11H10N4O — CID 141206790

IUPAC2-pyrimidin-4-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESO=c1cc(-c2ccncn2)nc2n1CCC2
InChIInChI=1S/C11H10N4O/c16-11-6-9(8-3-4-12-7-13-8)14-10-2-1-5-15(10)11/h3-4,6-7H,1-2,5H2
InChIKeyJSSCOJZZAHTNTE-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.65
Rot. Bonds1

About 2-pyrimidin-4-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one

2-pyrimidin-4-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 141206790) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 2-pyrimidin-4-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-pyrimidin-4-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
PubChem CID141206790
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name2-pyrimidin-4-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESO=c1cc(-c2ccncn2)nc2n1CCC2
InChIInChI=1S/C11H10N4O/c16-11-6-9(8-3-4-12-7-13-8)14-10-2-1-5-15(10)11/h3-4,6-7H,1-2,5H2
InChIKeyJSSCOJZZAHTNTE-UHFFFAOYSA-N
XLogP0.65
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-methyl-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
CID 44600833
10-ethyl-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
CID 44600976
2-(2-methylphenyl)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 125450643
9-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
CID 10291470
1-(1-phenylethyl)-8-pyrimidin-4-ylspiro[3,4-dihydropyrimido[1,2-a]pyrimidine-2,1'-cyclobutane]-6-one
CID 68616511
10-[2-(4-methoxyphenyl)ethyl]-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-4-one
CID 44601135
N-(9-methyl-4-oxo-2-pyrimidin-4-yl-7,8-dihydro-6H-pyrido[1,2-a]pyrimidin-9-yl)pyridine-2-carboxamide
CID 24989769
2-(3-nitrophenyl)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 125450645
2-fluoro-N-(4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)pyridine-3-carboxamide
CID 69022598
2-(1-aminoethyl)-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 68527245
4-methoxy-N-(4-oxo-2-pyrimidin-4-yl-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl)pyridine-2-carboxamide
CID 91216129
2-tert-butyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 13382495

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-4-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-pyrimidin-4-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (CID 141206790) is 2-pyrimidin-4-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-pyrimidin-4-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-pyrimidin-4-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is O=c1cc(-c2ccncn2)nc2n1CCC2.
What is the InChIKey of 2-pyrimidin-4-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is JSSCOJZZAHTNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c16-11-6-9(8-3-4-12-7-13-8)14-10-2-1-5-15(10)11/h3-4,6-7H,1-2,5H2.
What are the key properties of 2-pyrimidin-4-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
2-pyrimidin-4-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 214.23 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-4-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 141206790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).