5-(3-fluoro-4-hydroxyphenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one

C18H15FN2O2 — CID 68840010

IUPAC5-(3-fluoro-4-hydroxyphenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one
SMILESCc1ccccc1Cn1cncc(-c2ccc(O)c(F)c2)c1=O
InChIInChI=1S/C18H15FN2O2/c1-12-4-2-3-5-14(12)10-21-11-20-9-15(18(21)23)13-6-7-17(22)16(19)8-13/h2-9,11,22H,10H2,1H3
InChIKeyRDNSHMJBLUEOFH-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.11
Rot. Bonds3

About 5-(3-fluoro-4-hydroxyphenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one

5-(3-fluoro-4-hydroxyphenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one (PubChem CID 68840010) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 5-(3-fluoro-4-hydroxyphenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3-fluoro-4-hydroxyphenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one
PubChem CID68840010
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name5-(3-fluoro-4-hydroxyphenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one
SMILESCc1ccccc1Cn1cncc(-c2ccc(O)c(F)c2)c1=O
InChIInChI=1S/C18H15FN2O2/c1-12-4-2-3-5-14(12)10-21-11-20-9-15(18(21)23)13-6-7-17(22)16(19)8-13/h2-9,11,22H,10H2,1H3
InChIKeyRDNSHMJBLUEOFH-UHFFFAOYSA-N
XLogP3.11
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-fluoro-4-phenylmethoxyphenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one
CID 68836654
3-[(2-chlorophenyl)methyl]-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one
CID 68840984
3-benzyl-5-(3-fluoro-4-phenylmethoxyphenyl)pyrimidin-4-one
CID 68837803
5-bromo-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
CID 66310417
7-(3-fluorophenyl)-3-[(2-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 30849287
5-(3,4-dimethylphenyl)-3-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 2792360
5-(4-bromophenyl)-3-[(2-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 7674391
3-[(2-methylphenyl)methyl]-6-phenylpyrimidin-4-one
CID 30462724
3-[(2-methylphenyl)methyl]pteridin-4-one
CID 39826329
2-fluoro-4-(2,4,5-trimethylphenyl)phenol
CID 83130451
6-chloro-3-[(2-methylphenyl)methyl]pyrimidin-4-one
CID 114582051
5,6-dichloro-3-[(2-methylphenyl)methyl]pyrimidin-4-one
CID 114582920

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-hydroxyphenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one?
The IUPAC name of 5-(3-fluoro-4-hydroxyphenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one (CID 68840010) is 5-(3-fluoro-4-hydroxyphenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-(3-fluoro-4-hydroxyphenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-(3-fluoro-4-hydroxyphenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one is Cc1ccccc1Cn1cncc(-c2ccc(O)c(F)c2)c1=O.
What is the InChIKey of 5-(3-fluoro-4-hydroxyphenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one?
The InChIKey is RDNSHMJBLUEOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c1-12-4-2-3-5-14(12)10-21-11-20-9-15(18(21)23)13-6-7-17(22)16(19)8-13/h2-9,11,22H,10H2,1H3.
What are the key properties of 5-(3-fluoro-4-hydroxyphenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one?
5-(3-fluoro-4-hydroxyphenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one has a molecular weight of 310.33 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-hydroxyphenyl)-3-[(2-methylphenyl)methyl]pyrimidin-4-one is sourced from PubChem (CID 68840010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).