6-methyl-3-(phosphanylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C9H14N3OP — CID 142093562

IUPAC6-methyl-3-(phosphanylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCCc2ncc(NP)c(=O)n21
InChIInChI=1S/C9H14N3OP/c1-6-3-2-4-8-10-5-7(11-14)9(13)12(6)8/h5-6,11H,2-4,14H2,1H3
InChIKeyWOAKLNHBFUEYMY-UHFFFAOYSA-N
MW211.20 g/mol
LogP1.34
Rot. Bonds1

About 6-methyl-3-(phosphanylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

6-methyl-3-(phosphanylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 142093562) has the molecular formula C9H14N3OP and a molecular weight of 211.20 g/mol. Its IUPAC name is 6-methyl-3-(phosphanylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-(phosphanylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID142093562
Molecular FormulaC9H14N3OP
Molecular Weight211.20 g/mol
Exact Mass211.09
IUPAC Name6-methyl-3-(phosphanylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CCCc2ncc(NP)c(=O)n21
InChIInChI=1S/C9H14N3OP/c1-6-3-2-4-8-10-5-7(11-14)9(13)12(6)8/h5-6,11H,2-4,14H2,1H3
InChIKeyWOAKLNHBFUEYMY-UHFFFAOYSA-N
XLogP1.34
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 51.34
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)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 58700505
6-methyl-3-(phosphanylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 142093582
3-Amino-8-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 10678918
3-amino-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
CID 10702198
N-(4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-3-yl)acetamide
CID 10703524
3-Amino-9-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 10845077
2-methyl-5-piperidin-1-yl-1H-pyrimidin-6-one
CID 13463840
6-Methyl-3-(methylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 21057213
7-Amino-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83873339
2-Amino-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83875161
3-Amino-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 115015393
3-Amino-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 115015394

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(phosphanylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-methyl-3-(phosphanylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 142093562) is 6-methyl-3-(phosphanylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-(phosphanylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-(phosphanylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CC1CCCc2ncc(NP)c(=O)n21.
What is the InChIKey of 6-methyl-3-(phosphanylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WOAKLNHBFUEYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N3OP/c1-6-3-2-4-8-10-5-7(11-14)9(13)12(6)8/h5-6,11H,2-4,14H2,1H3.
What are the key properties of 6-methyl-3-(phosphanylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
6-methyl-3-(phosphanylamino)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 211.20 g/mol, XLogP of 1.34, 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)-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 142093562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).