(4-chlorophenyl)-(2-propan-2-yloxypyrimidin-5-yl)-pyridin-3-ylmethanol

C19H18ClN3O2 — CID 56676009

IUPAC(4-chlorophenyl)-(2-propan-2-yloxypyrimidin-5-yl)-pyridin-3-ylmethanol
SMILESCC(C)Oc1ncc(C(O)(c2ccc(Cl)cc2)c2cccnc2)cn1
InChIInChI=1S/C19H18ClN3O2/c1-13(2)25-18-22-11-16(12-23-18)19(24,15-4-3-9-21-10-15)14-5-7-17(20)8-6-14/h3-13,24H,1-2H3
InChIKeyNWESEUDQXHFBOY-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.60
Rot. Bonds5

About (4-chlorophenyl)-(2-propan-2-yloxypyrimidin-5-yl)-pyridin-3-ylmethanol

(4-chlorophenyl)-(2-propan-2-yloxypyrimidin-5-yl)-pyridin-3-ylmethanol (PubChem CID 56676009) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is (4-chlorophenyl)-(2-propan-2-yloxypyrimidin-5-yl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(4-chlorophenyl)-(2-propan-2-yloxypyrimidin-5-yl)-pyridin-3-ylmethanol
PubChem CID56676009
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name(4-chlorophenyl)-(2-propan-2-yloxypyrimidin-5-yl)-pyridin-3-ylmethanol
SMILESCC(C)Oc1ncc(C(O)(c2ccc(Cl)cc2)c2cccnc2)cn1
InChIInChI=1S/C19H18ClN3O2/c1-13(2)25-18-22-11-16(12-23-18)19(24,15-4-3-9-21-10-15)14-5-7-17(20)8-6-14/h3-13,24H,1-2H3
InChIKeyNWESEUDQXHFBOY-UHFFFAOYSA-N
XLogP3.60
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-chlorophenyl)-(2-propan-2-yloxypyrimidin-5-yl)-pyridin-3-ylmethanol 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 (4-chlorophenyl)-(2-propan-2-yloxypyrimidin-5-yl)-pyridin-3-ylmethanol?
The IUPAC name of (4-chlorophenyl)-(2-propan-2-yloxypyrimidin-5-yl)-pyridin-3-ylmethanol (CID 56676009) is (4-chlorophenyl)-(2-propan-2-yloxypyrimidin-5-yl)-pyridin-3-ylmethanol.
What is the SMILES notation for (4-chlorophenyl)-(2-propan-2-yloxypyrimidin-5-yl)-pyridin-3-ylmethanol?
The canonical SMILES for (4-chlorophenyl)-(2-propan-2-yloxypyrimidin-5-yl)-pyridin-3-ylmethanol is CC(C)Oc1ncc(C(O)(c2ccc(Cl)cc2)c2cccnc2)cn1.
What is the InChIKey of (4-chlorophenyl)-(2-propan-2-yloxypyrimidin-5-yl)-pyridin-3-ylmethanol?
The InChIKey is NWESEUDQXHFBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-13(2)25-18-22-11-16(12-23-18)19(24,15-4-3-9-21-10-15)14-5-7-17(20)8-6-14/h3-13,24H,1-2H3.
What are the key properties of (4-chlorophenyl)-(2-propan-2-yloxypyrimidin-5-yl)-pyridin-3-ylmethanol?
(4-chlorophenyl)-(2-propan-2-yloxypyrimidin-5-yl)-pyridin-3-ylmethanol has a molecular weight of 355.83 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2-propan-2-yloxypyrimidin-5-yl)-pyridin-3-ylmethanol is sourced from PubChem (CID 56676009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).