2-(2-hydroxyphenyl)-5-iodo-6-methyl-3-(2-phenylethyl)pyrimidin-4-one

C19H17IN2O2 — CID 135712805

IUPAC2-(2-hydroxyphenyl)-5-iodo-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
SMILESCc1nc(-c2ccccc2O)n(CCc2ccccc2)c(=O)c1I
InChIInChI=1S/C19H17IN2O2/c1-13-17(20)19(24)22(12-11-14-7-3-2-4-8-14)18(21-13)15-9-5-6-10-16(15)23/h2-10,23H,11-12H2,1H3
InChIKeySUEMGJMMAKSDIK-UHFFFAOYSA-N
MW432.26 g/mol
LogP3.77
Rot. Bonds4

About 2-(2-hydroxyphenyl)-5-iodo-6-methyl-3-(2-phenylethyl)pyrimidin-4-one

2-(2-hydroxyphenyl)-5-iodo-6-methyl-3-(2-phenylethyl)pyrimidin-4-one (PubChem CID 135712805) has the molecular formula C19H17IN2O2 and a molecular weight of 432.26 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-5-iodo-6-methyl-3-(2-phenylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-5-iodo-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
PubChem CID135712805
Molecular FormulaC19H17IN2O2
Molecular Weight432.26 g/mol
Exact Mass432.03
IUPAC Name2-(2-hydroxyphenyl)-5-iodo-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
SMILESCc1nc(-c2ccccc2O)n(CCc2ccccc2)c(=O)c1I
InChIInChI=1S/C19H17IN2O2/c1-13-17(20)19(24)22(12-11-14-7-3-2-4-8-14)18(21-13)15-9-5-6-10-16(15)23/h2-10,23H,11-12H2,1H3
InChIKeySUEMGJMMAKSDIK-UHFFFAOYSA-N
XLogP3.77
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.26
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-5-iodo-6-methyl-3-(2-phenylethyl)pyrimidin-4-one?
The IUPAC name of 2-(2-hydroxyphenyl)-5-iodo-6-methyl-3-(2-phenylethyl)pyrimidin-4-one (CID 135712805) is 2-(2-hydroxyphenyl)-5-iodo-6-methyl-3-(2-phenylethyl)pyrimidin-4-one.
What is the SMILES notation for 2-(2-hydroxyphenyl)-5-iodo-6-methyl-3-(2-phenylethyl)pyrimidin-4-one?
The canonical SMILES for 2-(2-hydroxyphenyl)-5-iodo-6-methyl-3-(2-phenylethyl)pyrimidin-4-one is Cc1nc(-c2ccccc2O)n(CCc2ccccc2)c(=O)c1I.
What is the InChIKey of 2-(2-hydroxyphenyl)-5-iodo-6-methyl-3-(2-phenylethyl)pyrimidin-4-one?
The InChIKey is SUEMGJMMAKSDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17IN2O2/c1-13-17(20)19(24)22(12-11-14-7-3-2-4-8-14)18(21-13)15-9-5-6-10-16(15)23/h2-10,23H,11-12H2,1H3.
What are the key properties of 2-(2-hydroxyphenyl)-5-iodo-6-methyl-3-(2-phenylethyl)pyrimidin-4-one?
2-(2-hydroxyphenyl)-5-iodo-6-methyl-3-(2-phenylethyl)pyrimidin-4-one has a molecular weight of 432.26 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-5-iodo-6-methyl-3-(2-phenylethyl)pyrimidin-4-one is sourced from PubChem (CID 135712805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).