(2,6-dichlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C15H14Cl2N4O — CID 2802614

IUPAC(2,6-dichlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1c(Cl)cccc1Cl)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H14Cl2N4O/c16-11-3-1-4-12(17)13(11)14(22)20-7-9-21(10-8-20)15-18-5-2-6-19-15/h1-6H,7-10H2
InChIKeyYHEBZIWPXPYIAM-UHFFFAOYSA-N
MW337.21 g/mol
LogP2.75
Rot. Bonds2

About (2,6-dichlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(2,6-dichlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 2802614) has the molecular formula C15H14Cl2N4O and a molecular weight of 337.21 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID2802614
Molecular FormulaC15H14Cl2N4O
Molecular Weight337.21 g/mol
Exact Mass336.05
IUPAC Name(2,6-dichlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1c(Cl)cccc1Cl)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H14Cl2N4O/c16-11-3-1-4-12(17)13(11)14(22)20-7-9-21(10-8-20)15-18-5-2-6-19-15/h1-6H,7-10H2
InChIKeyYHEBZIWPXPYIAM-UHFFFAOYSA-N
XLogP2.75
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,6-dichlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone 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 (2,6-dichlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2,6-dichlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 2802614) is (2,6-dichlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,6-dichlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2,6-dichlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is O=C(c1c(Cl)cccc1Cl)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (2,6-dichlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is YHEBZIWPXPYIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O/c16-11-3-1-4-12(17)13(11)14(22)20-7-9-21(10-8-20)15-18-5-2-6-19-15/h1-6H,7-10H2.
What are the key properties of (2,6-dichlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(2,6-dichlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 337.21 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 2802614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).