2-[(3-fluoro-4-phenylphenyl)methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol

C20H19FN2O2 — CID 70965773

IUPAC2-[(3-fluoro-4-phenylphenyl)methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol
SMILESCOCc1nc(Cc2ccc(-c3ccccc3)c(F)c2)nc(C)c1O
InChIInChI=1S/C20H19FN2O2/c1-13-20(24)18(12-25-2)23-19(22-13)11-14-8-9-16(17(21)10-14)15-6-4-3-5-7-15/h3-10,24H,11-12H2,1-2H3
InChIKeyHSDODVNDBZBHCM-UHFFFAOYSA-N
MW338.38 g/mol
LogP4.03
Rot. Bonds5

About 2-[(3-fluoro-4-phenylphenyl)methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol

2-[(3-fluoro-4-phenylphenyl)methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol (PubChem CID 70965773) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 2-[(3-fluoro-4-phenylphenyl)methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol.

Molecular Properties

Compound Name2-[(3-fluoro-4-phenylphenyl)methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol
PubChem CID70965773
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name2-[(3-fluoro-4-phenylphenyl)methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol
SMILESCOCc1nc(Cc2ccc(-c3ccccc3)c(F)c2)nc(C)c1O
InChIInChI=1S/C20H19FN2O2/c1-13-20(24)18(12-25-2)23-19(22-13)11-14-8-9-16(17(21)10-14)15-6-4-3-5-7-15/h3-10,24H,11-12H2,1-2H3
InChIKeyHSDODVNDBZBHCM-UHFFFAOYSA-N
XLogP4.03
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-fluoro-4-phenylphenyl)methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-phenylphenyl)methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol?
The IUPAC name of 2-[(3-fluoro-4-phenylphenyl)methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol (CID 70965773) is 2-[(3-fluoro-4-phenylphenyl)methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol.
What is the SMILES notation for 2-[(3-fluoro-4-phenylphenyl)methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol?
The canonical SMILES for 2-[(3-fluoro-4-phenylphenyl)methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol is COCc1nc(Cc2ccc(-c3ccccc3)c(F)c2)nc(C)c1O.
What is the InChIKey of 2-[(3-fluoro-4-phenylphenyl)methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol?
The InChIKey is HSDODVNDBZBHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-13-20(24)18(12-25-2)23-19(22-13)11-14-8-9-16(17(21)10-14)15-6-4-3-5-7-15/h3-10,24H,11-12H2,1-2H3.
What are the key properties of 2-[(3-fluoro-4-phenylphenyl)methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol?
2-[(3-fluoro-4-phenylphenyl)methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol has a molecular weight of 338.38 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-phenylphenyl)methyl]-4-(methoxymethyl)-6-methylpyrimidin-5-ol is sourced from PubChem (CID 70965773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).