(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

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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).