(4-chlorophenyl)-(4-methylphenyl)-pyrimidin-5-ylmethanol

C18H15ClN2O — CID 56679073

IUPAC(4-chlorophenyl)-(4-methylphenyl)-pyrimidin-5-ylmethanol
SMILESCc1ccc(C(O)(c2ccc(Cl)cc2)c2cncnc2)cc1
InChIInChI=1S/C18H15ClN2O/c1-13-2-4-14(5-3-13)18(22,16-10-20-12-21-11-16)15-6-8-17(19)9-7-15/h2-12,22H,1H3
InChIKeyZEDYPOMVUWEQFR-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.72
Rot. Bonds3

About (4-chlorophenyl)-(4-methylphenyl)-pyrimidin-5-ylmethanol

(4-chlorophenyl)-(4-methylphenyl)-pyrimidin-5-ylmethanol (PubChem CID 56679073) has the molecular formula C18H15ClN2O and a molecular weight of 310.78 g/mol. Its IUPAC name is (4-chlorophenyl)-(4-methylphenyl)-pyrimidin-5-ylmethanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(4-methylphenyl)-pyrimidin-5-ylmethanol
PubChem CID56679073
Molecular FormulaC18H15ClN2O
Molecular Weight310.78 g/mol
Exact Mass310.09
IUPAC Name(4-chlorophenyl)-(4-methylphenyl)-pyrimidin-5-ylmethanol
SMILESCc1ccc(C(O)(c2ccc(Cl)cc2)c2cncnc2)cc1
InChIInChI=1S/C18H15ClN2O/c1-13-2-4-14(5-3-13)18(22,16-10-20-12-21-11-16)15-6-8-17(19)9-7-15/h2-12,22H,1H3
InChIKeyZEDYPOMVUWEQFR-UHFFFAOYSA-N
XLogP3.72
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(4-methylphenyl)-pyrimidin-5-ylmethanol?
The IUPAC name of (4-chlorophenyl)-(4-methylphenyl)-pyrimidin-5-ylmethanol (CID 56679073) is (4-chlorophenyl)-(4-methylphenyl)-pyrimidin-5-ylmethanol.
What is the SMILES notation for (4-chlorophenyl)-(4-methylphenyl)-pyrimidin-5-ylmethanol?
The canonical SMILES for (4-chlorophenyl)-(4-methylphenyl)-pyrimidin-5-ylmethanol is Cc1ccc(C(O)(c2ccc(Cl)cc2)c2cncnc2)cc1.
What is the InChIKey of (4-chlorophenyl)-(4-methylphenyl)-pyrimidin-5-ylmethanol?
The InChIKey is ZEDYPOMVUWEQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O/c1-13-2-4-14(5-3-13)18(22,16-10-20-12-21-11-16)15-6-8-17(19)9-7-15/h2-12,22H,1H3.
What are the key properties of (4-chlorophenyl)-(4-methylphenyl)-pyrimidin-5-ylmethanol?
(4-chlorophenyl)-(4-methylphenyl)-pyrimidin-5-ylmethanol has a molecular weight of 310.78 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(4-methylphenyl)-pyrimidin-5-ylmethanol is sourced from PubChem (CID 56679073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).