3-methylpyrido[1,2-a]pyrimidine-2,4-dione

C9H8N2O2 — CID 5163266

IUPAC3-methylpyrido[1,2-a]pyrimidine-2,4-dione
SMILESCC1C(=O)N=C2C=CC=CN2C1=O
InChIInChI=1S/C9H8N2O2/c1-6-8(12)10-7-4-2-3-5-11(7)9(6)13/h2-6H,1H3
InChIKeyBZPOYQDDCPEVOZ-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.47
Rot. Bonds

About 3-methylpyrido[1,2-a]pyrimidine-2,4-dione

3-methylpyrido[1,2-a]pyrimidine-2,4-dione (PubChem CID 5163266) has the molecular formula C9H8N2O2 and a molecular weight of 176.18 g/mol. Its IUPAC name is 3-methylpyrido[1,2-a]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methylpyrido[1,2-a]pyrimidine-2,4-dione
PubChem CID5163266
Molecular FormulaC9H8N2O2
Molecular Weight176.18 g/mol
Exact Mass176.06
IUPAC Name3-methylpyrido[1,2-a]pyrimidine-2,4-dione
SMILESCC1C(=O)N=C2C=CC=CN2C1=O
InChIInChI=1S/C9H8N2O2/c1-6-8(12)10-7-4-2-3-5-11(7)9(6)13/h2-6H,1H3
InChIKeyBZPOYQDDCPEVOZ-UHFFFAOYSA-N
XLogP0.47
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-3-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 135448456
3-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 529094
3,4-dihydro-2H-pyrido(1,2-a)pyrimidin-2-one
CID 79500
9-Methyl-3,4-dihydro-2H-pyrido(1,2-a)pyrimidin-2-one
CID 332623
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N,6-dimethyl-4-oxo-
CID 3079272
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 4-oxo-N-propyl-
CID 3079290
Pyrrolidine, 1-((6-methyl-4-oxo-4H-pyrido(1,2-a)pyrimidin-3-yl)carbonyl)-
CID 3079297
2H-Pyrido(1,2-a)pyrimidine-2,4(3H)-dione
CID 261420
3-Butyl-3,4-dihydro-2H-pyrido-(1,2-A)pyrimidine-2,4-dione
CID 242957
8-Methylpyrido[1,2-a]pyrimidine-2,4-dione
CID 56695261
9-Fluoro-2,3-dihydro-4h-pyrido[1,2-a]pyrimidin-4-one
CID 129892468
7-Fluoro-2,3-dihydro-4h-pyrido[1,2-a]pyrimidin-4-one
CID 129892490

Frequently Asked Questions

What is the IUPAC name of 3-methylpyrido[1,2-a]pyrimidine-2,4-dione?
The IUPAC name of 3-methylpyrido[1,2-a]pyrimidine-2,4-dione (CID 5163266) is 3-methylpyrido[1,2-a]pyrimidine-2,4-dione.
What is the SMILES notation for 3-methylpyrido[1,2-a]pyrimidine-2,4-dione?
The canonical SMILES for 3-methylpyrido[1,2-a]pyrimidine-2,4-dione is CC1C(=O)N=C2C=CC=CN2C1=O.
What is the InChIKey of 3-methylpyrido[1,2-a]pyrimidine-2,4-dione?
The InChIKey is BZPOYQDDCPEVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-6-8(12)10-7-4-2-3-5-11(7)9(6)13/h2-6H,1H3.
What are the key properties of 3-methylpyrido[1,2-a]pyrimidine-2,4-dione?
3-methylpyrido[1,2-a]pyrimidine-2,4-dione has a molecular weight of 176.18 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpyrido[1,2-a]pyrimidine-2,4-dione is sourced from PubChem (CID 5163266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).