(2-chlorophenyl)-(4-methoxyphenyl)-pyrimidin-5-ylmethanol

C18H15ClN2O2 — CID 56662126

IUPAC(2-chlorophenyl)-(4-methoxyphenyl)-pyrimidin-5-ylmethanol
SMILESCOc1ccc(C(O)(c2cncnc2)c2ccccc2Cl)cc1
InChIInChI=1S/C18H15ClN2O2/c1-23-15-8-6-13(7-9-15)18(22,14-10-20-12-21-11-14)16-4-2-3-5-17(16)19/h2-12,22H,1H3
InChIKeyGARZEWDFAFPZRG-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.42
Rot. Bonds4

About (2-chlorophenyl)-(4-methoxyphenyl)-pyrimidin-5-ylmethanol

(2-chlorophenyl)-(4-methoxyphenyl)-pyrimidin-5-ylmethanol (PubChem CID 56662126) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is (2-chlorophenyl)-(4-methoxyphenyl)-pyrimidin-5-ylmethanol.

Molecular Properties

Compound Name(2-chlorophenyl)-(4-methoxyphenyl)-pyrimidin-5-ylmethanol
PubChem CID56662126
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name(2-chlorophenyl)-(4-methoxyphenyl)-pyrimidin-5-ylmethanol
SMILESCOc1ccc(C(O)(c2cncnc2)c2ccccc2Cl)cc1
InChIInChI=1S/C18H15ClN2O2/c1-23-15-8-6-13(7-9-15)18(22,14-10-20-12-21-11-14)16-4-2-3-5-17(16)19/h2-12,22H,1H3
InChIKeyGARZEWDFAFPZRG-UHFFFAOYSA-N
XLogP3.42
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(4-methoxyphenyl)-pyrimidin-5-ylmethanol?
The IUPAC name of (2-chlorophenyl)-(4-methoxyphenyl)-pyrimidin-5-ylmethanol (CID 56662126) is (2-chlorophenyl)-(4-methoxyphenyl)-pyrimidin-5-ylmethanol.
What is the SMILES notation for (2-chlorophenyl)-(4-methoxyphenyl)-pyrimidin-5-ylmethanol?
The canonical SMILES for (2-chlorophenyl)-(4-methoxyphenyl)-pyrimidin-5-ylmethanol is COc1ccc(C(O)(c2cncnc2)c2ccccc2Cl)cc1.
What is the InChIKey of (2-chlorophenyl)-(4-methoxyphenyl)-pyrimidin-5-ylmethanol?
The InChIKey is GARZEWDFAFPZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-23-15-8-6-13(7-9-15)18(22,14-10-20-12-21-11-14)16-4-2-3-5-17(16)19/h2-12,22H,1H3.
What are the key properties of (2-chlorophenyl)-(4-methoxyphenyl)-pyrimidin-5-ylmethanol?
(2-chlorophenyl)-(4-methoxyphenyl)-pyrimidin-5-ylmethanol has a molecular weight of 326.78 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(4-methoxyphenyl)-pyrimidin-5-ylmethanol is sourced from PubChem (CID 56662126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).