4-cyclopropyl-5-iodo-2-(2-methoxy-4-methylphenyl)-1H-pyrimidin-6-one

C15H15IN2O2 — CID 136696967

IUPAC4-cyclopropyl-5-iodo-2-(2-methoxy-4-methylphenyl)-1H-pyrimidin-6-one
SMILESCOc1cc(C)ccc1-c1nc(C2CC2)c(I)c(=O)[nH]1
InChIInChI=1S/C15H15IN2O2/c1-8-3-6-10(11(7-8)20-2)14-17-13(9-4-5-9)12(16)15(19)18-14/h3,6-7,9H,4-5H2,1-2H3,(H,17,18,19)
InChIKeyIJYAUFATGWDEGB-UHFFFAOYSA-N
MW382.20 g/mol
LogP3.24
Rot. Bonds3

About 4-cyclopropyl-5-iodo-2-(2-methoxy-4-methylphenyl)-1H-pyrimidin-6-one

4-cyclopropyl-5-iodo-2-(2-methoxy-4-methylphenyl)-1H-pyrimidin-6-one (PubChem CID 136696967) has the molecular formula C15H15IN2O2 and a molecular weight of 382.20 g/mol. Its IUPAC name is 4-cyclopropyl-5-iodo-2-(2-methoxy-4-methylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopropyl-5-iodo-2-(2-methoxy-4-methylphenyl)-1H-pyrimidin-6-one
PubChem CID136696967
Molecular FormulaC15H15IN2O2
Molecular Weight382.20 g/mol
Exact Mass382.02
IUPAC Name4-cyclopropyl-5-iodo-2-(2-methoxy-4-methylphenyl)-1H-pyrimidin-6-one
SMILESCOc1cc(C)ccc1-c1nc(C2CC2)c(I)c(=O)[nH]1
InChIInChI=1S/C15H15IN2O2/c1-8-3-6-10(11(7-8)20-2)14-17-13(9-4-5-9)12(16)15(19)18-14/h3,6-7,9H,4-5H2,1-2H3,(H,17,18,19)
InChIKeyIJYAUFATGWDEGB-UHFFFAOYSA-N
XLogP3.24
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxy-4-methylphenyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 136696949
5-bromo-2-(2-methoxy-4-methylphenyl)-4-propyl-1H-pyrimidin-6-one
CID 136696956
4-cyclopentyl-5-iodo-2-(2-methylphenyl)-1H-pyrimidin-6-one
CID 136729850
2-(2-bromo-3,4-difluorophenyl)-4-cyclopropyl-5-iodo-1H-pyrimidin-6-one
CID 136920021
5-bromo-4-cyclopentyl-2-(2,4-dimethylphenyl)-1H-pyrimidin-6-one
CID 136730055
5-bromo-4-cyclopentyl-2-(2-methoxyphenyl)-1H-pyrimidin-6-one
CID 136729643
4-cyclopropyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005324
2-(2-methoxy-4-methylphenyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106794205
5-bromo-4-cyclopentyl-2-(2,5-dimethylphenyl)-1H-pyrimidin-6-one
CID 136730034
4-cyclopentyl-5-iodo-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136729854
2-(3-bromo-2-pyridinyl)-4-cyclopropyl-5-iodo-1H-pyrimidin-6-one
CID 136999478
4-cyclopentyl-5-iodo-2-(2-methylpyrazol-3-yl)-1H-pyrimidin-6-one
CID 137005328

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-iodo-2-(2-methoxy-4-methylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopropyl-5-iodo-2-(2-methoxy-4-methylphenyl)-1H-pyrimidin-6-one (CID 136696967) is 4-cyclopropyl-5-iodo-2-(2-methoxy-4-methylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopropyl-5-iodo-2-(2-methoxy-4-methylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopropyl-5-iodo-2-(2-methoxy-4-methylphenyl)-1H-pyrimidin-6-one is COc1cc(C)ccc1-c1nc(C2CC2)c(I)c(=O)[nH]1.
What is the InChIKey of 4-cyclopropyl-5-iodo-2-(2-methoxy-4-methylphenyl)-1H-pyrimidin-6-one?
The InChIKey is IJYAUFATGWDEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O2/c1-8-3-6-10(11(7-8)20-2)14-17-13(9-4-5-9)12(16)15(19)18-14/h3,6-7,9H,4-5H2,1-2H3,(H,17,18,19).
What are the key properties of 4-cyclopropyl-5-iodo-2-(2-methoxy-4-methylphenyl)-1H-pyrimidin-6-one?
4-cyclopropyl-5-iodo-2-(2-methoxy-4-methylphenyl)-1H-pyrimidin-6-one has a molecular weight of 382.20 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-iodo-2-(2-methoxy-4-methylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136696967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).