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

C9H13N3O — CID 21057241

IUPAC6-methyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCNc1cnc2n(c1=O)C(C)CC2
InChIInChI=1S/C9H13N3O/c1-6-3-4-8-11-5-7(10-2)9(13)12(6)8/h5-6,10H,3-4H2,1-2H3
InChIKeyVTMBNSNSTYNUKX-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.79
Rot. Bonds1

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

6-methyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 21057241) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 6-methyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
PubChem CID21057241
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name6-methyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCNc1cnc2n(c1=O)C(C)CC2
InChIInChI=1S/C9H13N3O/c1-6-3-4-8-11-5-7(10-2)9(13)12(6)8/h5-6,10H,3-4H2,1-2H3
InChIKeyVTMBNSNSTYNUKX-UHFFFAOYSA-N
XLogP0.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-acetyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 54424101
(6R)-6-methyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 58700481
(6R)-6-methyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 58700505
(4E)-2-butyl-4-(dimethylaminomethylidene)-1H-imidazol-5-one
CID 135437282
(4Z)-2-butyl-4-(dimethylaminomethylidene)-1H-imidazol-5-one
CID 135480530
2-Butyl-4-dimethylaminomethylene-2-imidazolin-5-one
CID 136375570
6-methyl-3-(phosphanylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 142093582
(6S,8S)-3-amino-6-(aminomethyl)-8-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one;ethane
CID 142846944
1-Methyl-2-(1-methylpyrrolidin-2-yl)-6-oxopyrimidine-4-carboxamide
CID 152554812
(6R)-3-[iodo(methyl)amino]-6-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 163608970
(6S)-3-(methylamino)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
CID 171655027
3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carbaldehyde;methoxymethane
CID 178137629

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (CID 21057241) is 6-methyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is CNc1cnc2n(c1=O)C(C)CC2.
What is the InChIKey of 6-methyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is VTMBNSNSTYNUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-3-4-8-11-5-7(10-2)9(13)12(6)8/h5-6,10H,3-4H2,1-2H3.
What are the key properties of 6-methyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
6-methyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 179.22 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 21057241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).