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

C8H12N3OP — CID 142093582

IUPAC6-methyl-3-(phosphanylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCC1CCc2ncc(NP)c(=O)n21
InChIInChI=1S/C8H12N3OP/c1-5-2-3-7-9-4-6(10-13)8(12)11(5)7/h4-5,10H,2-3,13H2,1H3
InChIKeyQOLJWVRVJOZLEB-UHFFFAOYSA-N
MW197.18 g/mol
LogP0.95
Rot. Bonds1

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

6-methyl-3-(phosphanylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (PubChem CID 142093582) has the molecular formula C8H12N3OP and a molecular weight of 197.18 g/mol. Its IUPAC name is 6-methyl-3-(phosphanylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-(phosphanylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
PubChem CID142093582
Molecular FormulaC8H12N3OP
Molecular Weight197.18 g/mol
Exact Mass197.07
IUPAC Name6-methyl-3-(phosphanylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
SMILESCC1CCc2ncc(NP)c(=O)n21
InChIInChI=1S/C8H12N3OP/c1-5-2-3-7-9-4-6(10-13)8(12)11(5)7/h4-5,10H,2-3,13H2,1H3
InChIKeyQOLJWVRVJOZLEB-UHFFFAOYSA-N
XLogP0.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(6R)-6-methyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 58700481
6-Methyl-3-(phosphanylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 142093562
(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
6-methyl-3-(methylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 21057241
(6S,8S)-3-amino-6-(aminomethyl)-8-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 142846945

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(phosphanylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-(phosphanylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one (CID 142093582) is 6-methyl-3-(phosphanylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-(phosphanylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-(phosphanylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is CC1CCc2ncc(NP)c(=O)n21.
What is the InChIKey of 6-methyl-3-(phosphanylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
The InChIKey is QOLJWVRVJOZLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N3OP/c1-5-2-3-7-9-4-6(10-13)8(12)11(5)7/h4-5,10H,2-3,13H2,1H3.
What are the key properties of 6-methyl-3-(phosphanylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one?
6-methyl-3-(phosphanylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one has a molecular weight of 197.18 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(phosphanylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 142093582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).