2-[4-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol

C16H20ClN5O — CID 2795593

IUPAC2-[4-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESCc1nc(-c2ccccn2)nc(N2CCN(CCO)CC2)c1Cl
InChIInChI=1S/C16H20ClN5O/c1-12-14(17)16(22-8-6-21(7-9-22)10-11-23)20-15(19-12)13-4-2-3-5-18-13/h2-5,23H,6-11H2,1H3
InChIKeyNLGYGVCRRXIJRR-UHFFFAOYSA-N
MW333.82 g/mol
LogP1.61
Rot. Bonds4

About 2-[4-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol

2-[4-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol (PubChem CID 2795593) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-[4-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol
PubChem CID2795593
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name2-[4-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESCc1nc(-c2ccccn2)nc(N2CCN(CCO)CC2)c1Cl
InChIInChI=1S/C16H20ClN5O/c1-12-14(17)16(22-8-6-21(7-9-22)10-11-23)20-15(19-12)13-4-2-3-5-18-13/h2-5,23H,6-11H2,1H3
InChIKeyNLGYGVCRRXIJRR-UHFFFAOYSA-N
XLogP1.61
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol 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 2-[4-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol (CID 2795593) is 2-[4-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol is Cc1nc(-c2ccccn2)nc(N2CCN(CCO)CC2)c1Cl.
What is the InChIKey of 2-[4-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol?
The InChIKey is NLGYGVCRRXIJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-12-14(17)16(22-8-6-21(7-9-22)10-11-23)20-15(19-12)13-4-2-3-5-18-13/h2-5,23H,6-11H2,1H3.
What are the key properties of 2-[4-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol?
2-[4-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol has a molecular weight of 333.82 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 2795593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).