(4-chlorophenyl)-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-pyridin-3-ylmethanol

C20H18ClN3O2 — CID 56665585

IUPAC(4-chlorophenyl)-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-pyridin-3-ylmethanol
SMILESOC(c1ccc(Cl)cc1)(c1cccnc1)c1cnc(OCC2CC2)nc1
InChIInChI=1S/C20H18ClN3O2/c21-18-7-5-15(6-8-18)20(25,16-2-1-9-22-10-16)17-11-23-19(24-12-17)26-13-14-3-4-14/h1-2,5-12,14,25H,3-4,13H2
InChIKeyVYIFSNYJXUNPHG-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.60
Rot. Bonds6

About (4-chlorophenyl)-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-pyridin-3-ylmethanol

(4-chlorophenyl)-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-pyridin-3-ylmethanol (PubChem CID 56665585) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-pyridin-3-ylmethanol
PubChem CID56665585
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name(4-chlorophenyl)-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-pyridin-3-ylmethanol
SMILESOC(c1ccc(Cl)cc1)(c1cccnc1)c1cnc(OCC2CC2)nc1
InChIInChI=1S/C20H18ClN3O2/c21-18-7-5-15(6-8-18)20(25,16-2-1-9-22-10-16)17-11-23-19(24-12-17)26-13-14-3-4-14/h1-2,5-12,14,25H,3-4,13H2
InChIKeyVYIFSNYJXUNPHG-UHFFFAOYSA-N
XLogP3.60
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-pyridin-3-ylmethanol?
The IUPAC name of (4-chlorophenyl)-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-pyridin-3-ylmethanol (CID 56665585) is (4-chlorophenyl)-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for (4-chlorophenyl)-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-pyridin-3-ylmethanol?
The canonical SMILES for (4-chlorophenyl)-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-pyridin-3-ylmethanol is OC(c1ccc(Cl)cc1)(c1cccnc1)c1cnc(OCC2CC2)nc1.
What is the InChIKey of (4-chlorophenyl)-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-pyridin-3-ylmethanol?
The InChIKey is VYIFSNYJXUNPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-18-7-5-15(6-8-18)20(25,16-2-1-9-22-10-16)17-11-23-19(24-12-17)26-13-14-3-4-14/h1-2,5-12,14,25H,3-4,13H2.
What are the key properties of (4-chlorophenyl)-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-pyridin-3-ylmethanol?
(4-chlorophenyl)-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-pyridin-3-ylmethanol has a molecular weight of 367.84 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-(cyclopropylmethoxy)pyrimidin-5-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 56665585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).