2-(iodomethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one

C10H9IN2O — CID 64787962

IUPAC2-(iodomethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CI)cc(=O)n2c1
InChIInChI=1S/C10H9IN2O/c1-7-2-3-9-12-8(5-11)4-10(14)13(9)6-7/h2-4,6H,5H2,1H3
InChIKeyYQJUJHRVZXIABA-UHFFFAOYSA-N
MW300.10 g/mol
LogP1.94
Rot. Bonds1

About 2-(iodomethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one

2-(iodomethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 64787962) has the molecular formula C10H9IN2O and a molecular weight of 300.10 g/mol. Its IUPAC name is 2-(iodomethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(iodomethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID64787962
Molecular FormulaC10H9IN2O
Molecular Weight300.10 g/mol
Exact Mass299.98
IUPAC Name2-(iodomethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CI)cc(=O)n2c1
InChIInChI=1S/C10H9IN2O/c1-7-2-3-9-12-8(5-11)4-10(14)13(9)6-7/h2-4,6H,5H2,1H3
InChIKeyYQJUJHRVZXIABA-UHFFFAOYSA-N
XLogP1.94
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,8-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 4021578
2-Chloro-7-methyl-4h-pyrido[1,2-a]pyrimidin-4-one
CID 266518
4H-Pyrido(1,2-a)pyrimidin-4-one, 3-ethyl-2-methyl-, monohydrochloride
CID 3053744
4H-Pyrido(1,2-a)pyrimidin-4-one, 2,9-dimethyl-3-ethyl-, monohydrochloride
CID 3062164
2-Methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 278093
2-(Chloromethyl)-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 2434807
2-(Chloromethyl)-8-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 2434823
3-Chloro-2,7-dimethyl-pyrido[1,2-a]pyrimidin-4-one
CID 740856
3-Ethyl-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 12527405
3-Ethyl-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 23345425
4H-Pyrido[1,2-a]pyrimidin-4-one, 2-ethyl-3,6-dimethyl-
CID 3053743
3-Ethyl-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 3053745

Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(iodomethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 64787962) is 2-(iodomethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(iodomethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(iodomethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CI)cc(=O)n2c1.
What is the InChIKey of 2-(iodomethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YQJUJHRVZXIABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2O/c1-7-2-3-9-12-8(5-11)4-10(14)13(9)6-7/h2-4,6H,5H2,1H3.
What are the key properties of 2-(iodomethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-(iodomethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 300.10 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 64787962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).