(2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanol

C17H15ClN4O — CID 134560647

IUPAC(2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanol
SMILESOC(c1cnc(NCc2cccnc2)nc1)c1ccccc1Cl
InChIInChI=1S/C17H15ClN4O/c18-15-6-2-1-5-14(15)16(23)13-10-21-17(22-11-13)20-9-12-4-3-7-19-8-12/h1-8,10-11,16,23H,9H2,(H,20,21,22)
InChIKeyHGUGXMNIJAUAJU-UHFFFAOYSA-N
MW326.79 g/mol
LogP3.22
Rot. Bonds5

About (2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanol

(2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanol (PubChem CID 134560647) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is (2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanol.

Molecular Properties

Compound Name(2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanol
PubChem CID134560647
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name(2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanol
SMILESOC(c1cnc(NCc2cccnc2)nc1)c1ccccc1Cl
InChIInChI=1S/C17H15ClN4O/c18-15-6-2-1-5-14(15)16(23)13-10-21-17(22-11-13)20-9-12-4-3-7-19-8-12/h1-8,10-11,16,23H,9H2,(H,20,21,22)
InChIKeyHGUGXMNIJAUAJU-UHFFFAOYSA-N
XLogP3.22
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanone
CID 134539198
[3-fluoro-5-(trifluoromethyl)phenyl]-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanol
CID 139517892
5-bromo-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 63873980
2,6-dichloro-N-(pyridin-3-ylmethyl)aniline
CID 913968
4-chloro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 82676696
N-(2-chlorophenyl)-6-methyl-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109329921
2,6-dichloro-4-(pyridin-3-ylmethylamino)phenol
CID 18778349
N-phenyl-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109258997
2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
1-(2-chlorophenyl)-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 105099694
N-[(2,6-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine chloride
CID 21233303
N-(2-chlorophenyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109349914

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanol?
The IUPAC name of (2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanol (CID 134560647) is (2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanol.
What is the SMILES notation for (2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanol?
The canonical SMILES for (2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanol is OC(c1cnc(NCc2cccnc2)nc1)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanol?
The InChIKey is HGUGXMNIJAUAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c18-15-6-2-1-5-14(15)16(23)13-10-21-17(22-11-13)20-9-12-4-3-7-19-8-12/h1-8,10-11,16,23H,9H2,(H,20,21,22).
What are the key properties of (2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanol?
(2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanol has a molecular weight of 326.79 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[2-(pyridin-3-ylmethylamino)pyrimidin-5-yl]methanol is sourced from PubChem (CID 134560647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).