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

C20H21ClN4O2 — CID 56679337

IUPAC(4-chlorophenyl)-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-pyridin-3-ylmethanol
SMILESCN(C)CCOc1ncc(C(O)(c2ccc(Cl)cc2)c2cccnc2)cn1
InChIInChI=1S/C20H21ClN4O2/c1-25(2)10-11-27-19-23-13-17(14-24-19)20(26,16-4-3-9-22-12-16)15-5-7-18(21)8-6-15/h3-9,12-14,26H,10-11H2,1-2H3
InChIKeyVSAUSIYKZXYZHX-UHFFFAOYSA-N
MW384.87 g/mol
LogP2.75
Rot. Bonds7

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

(4-chlorophenyl)-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-pyridin-3-ylmethanol (PubChem CID 56679337) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-pyridin-3-ylmethanol
PubChem CID56679337
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name(4-chlorophenyl)-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-pyridin-3-ylmethanol
SMILESCN(C)CCOc1ncc(C(O)(c2ccc(Cl)cc2)c2cccnc2)cn1
InChIInChI=1S/C20H21ClN4O2/c1-25(2)10-11-27-19-23-13-17(14-24-19)20(26,16-4-3-9-22-12-16)15-5-7-18(21)8-6-15/h3-9,12-14,26H,10-11H2,1-2H3
InChIKeyVSAUSIYKZXYZHX-UHFFFAOYSA-N
XLogP2.75
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-pyridin-3-ylmethanol?
The IUPAC name of (4-chlorophenyl)-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-pyridin-3-ylmethanol (CID 56679337) is (4-chlorophenyl)-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for (4-chlorophenyl)-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-pyridin-3-ylmethanol?
The canonical SMILES for (4-chlorophenyl)-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-pyridin-3-ylmethanol is CN(C)CCOc1ncc(C(O)(c2ccc(Cl)cc2)c2cccnc2)cn1.
What is the InChIKey of (4-chlorophenyl)-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-pyridin-3-ylmethanol?
The InChIKey is VSAUSIYKZXYZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-25(2)10-11-27-19-23-13-17(14-24-19)20(26,16-4-3-9-22-12-16)15-5-7-18(21)8-6-15/h3-9,12-14,26H,10-11H2,1-2H3.
What are the key properties of (4-chlorophenyl)-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-pyridin-3-ylmethanol?
(4-chlorophenyl)-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-pyridin-3-ylmethanol has a molecular weight of 384.87 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-[2-(dimethylamino)ethoxy]pyrimidin-5-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 56679337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).