2,7-dimethyl-3-nitropyrido[1,2-a]pyrimidin-4-one

C10H9N3O3 — CID 24862942

IUPAC2,7-dimethyl-3-nitropyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(C)c([N+](=O)[O-])c(=O)n2c1
InChIInChI=1S/C10H9N3O3/c1-6-3-4-8-11-7(2)9(13(15)16)10(14)12(8)5-6/h3-5H,1-2H3
InChIKeyFIQMHMWSADHSNV-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.22
Rot. Bonds1

About 2,7-dimethyl-3-nitropyrido[1,2-a]pyrimidin-4-one

2,7-dimethyl-3-nitropyrido[1,2-a]pyrimidin-4-one (PubChem CID 24862942) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2,7-dimethyl-3-nitropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2,7-dimethyl-3-nitropyrido[1,2-a]pyrimidin-4-one
PubChem CID24862942
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name2,7-dimethyl-3-nitropyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(C)c([N+](=O)[O-])c(=O)n2c1
InChIInChI=1S/C10H9N3O3/c1-6-3-4-8-11-7(2)9(13(15)16)10(14)12(8)5-6/h3-5H,1-2H3
InChIKeyFIQMHMWSADHSNV-UHFFFAOYSA-N
XLogP1.22
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one
CID 12527404
3-ethyl-2-methyl-7-nitropyrido[1,2-a]pyrimidin-4-one
CID 20568861
7-chloro-2-(chloromethyl)-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 46398536
2-chloro-N-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetamide
CID 82091833
3-tert-butyl-2,6-dimethylimidazo[1,2-a]pyridine
CID 143656817
3,6-dimethyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
CID 115403762
2-[(4-methylphenyl)methylamino]-3-nitropyrido[1,2-a]pyrimidin-4-one
CID 46517906
2-chloro-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 58357524
ethyl 3-(2,7-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)propanoate
CID 6622036
3-(chloromethyl)-2,6-dimethylimidazo[1,2-a]pyridine;hydrochloride
CID 82530392
2-methyl-6-nitroimidazo[1,2-a]pyridine-3-carboxylic acid
CID 12872601
2-bromo-8-methylpyrido[2,1-b]quinazolin-11-one
CID 12562121

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-3-nitropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2,7-dimethyl-3-nitropyrido[1,2-a]pyrimidin-4-one (CID 24862942) is 2,7-dimethyl-3-nitropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2,7-dimethyl-3-nitropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2,7-dimethyl-3-nitropyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(C)c([N+](=O)[O-])c(=O)n2c1.
What is the InChIKey of 2,7-dimethyl-3-nitropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FIQMHMWSADHSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-6-3-4-8-11-7(2)9(13(15)16)10(14)12(8)5-6/h3-5H,1-2H3.
What are the key properties of 2,7-dimethyl-3-nitropyrido[1,2-a]pyrimidin-4-one?
2,7-dimethyl-3-nitropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 219.20 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-3-nitropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 24862942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).