4-(2,4-dichlorophenyl)-2-piperazin-1-ylpyrimidine

C14H14Cl2N4 — CID 103278321

IUPAC4-(2,4-dichlorophenyl)-2-piperazin-1-ylpyrimidine
SMILESClc1ccc(-c2ccnc(N3CCNCC3)n2)c(Cl)c1
InChIInChI=1S/C14H14Cl2N4/c15-10-1-2-11(12(16)9-10)13-3-4-18-14(19-13)20-7-5-17-6-8-20/h1-4,9,17H,5-8H2
InChIKeyZIIFDGYRNHUVCV-UHFFFAOYSA-N
MW309.20 g/mol
LogP2.86
Rot. Bonds2

About 4-(2,4-dichlorophenyl)-2-piperazin-1-ylpyrimidine

4-(2,4-dichlorophenyl)-2-piperazin-1-ylpyrimidine (PubChem CID 103278321) has the molecular formula C14H14Cl2N4 and a molecular weight of 309.20 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-2-piperazin-1-ylpyrimidine
PubChem CID103278321
Molecular FormulaC14H14Cl2N4
Molecular Weight309.20 g/mol
Exact Mass308.06
IUPAC Name4-(2,4-dichlorophenyl)-2-piperazin-1-ylpyrimidine
SMILESClc1ccc(-c2ccnc(N3CCNCC3)n2)c(Cl)c1
InChIInChI=1S/C14H14Cl2N4/c15-10-1-2-11(12(16)9-10)13-3-4-18-14(19-13)20-7-5-17-6-8-20/h1-4,9,17H,5-8H2
InChIKeyZIIFDGYRNHUVCV-UHFFFAOYSA-N
XLogP2.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,4-dichlorophenyl)-2-piperazin-1-ylpyrimidine 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

4-(2,4-dimethylphenyl)-2-piperazin-1-ylpyrimidine
CID 82487669
2-[2-(1,4-diazepan-1-yl)pyrimidin-4-yl]phenol
CID 136967152
1-[1-[4-(2,4-dichlorophenyl)pyrimidin-2-yl]-4-phenylpiperidin-4-yl]ethanone
CID 171989085
4-(3-bromo-4-fluorophenyl)-2-piperazin-1-ylpyrimidine
CID 103278364
4-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylpyrimidine
CID 96668438
2,4-di(piperazin-1-yl)pyrimidine
CID 6610945
2-chloro-4-(2,4-dichlorophenyl)pyrimidine
CID 11086481
6-chloro-3-(2-piperazin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine
CID 139365202
4-(2,6-difluorophenyl)-2-piperazin-1-ylpyrimidine
CID 68575451
4-(2-ethoxyphenyl)-2-piperazin-1-ylpyrimidine
CID 103278359
4-piperazin-1-yl-2-piperidin-1-ylpyrimidine
CID 83724540
4-(2,4-dichlorophenyl)pyrimidin-2-amine
CID 4773592

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-2-piperazin-1-ylpyrimidine?
The IUPAC name of 4-(2,4-dichlorophenyl)-2-piperazin-1-ylpyrimidine (CID 103278321) is 4-(2,4-dichlorophenyl)-2-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-2-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-2-piperazin-1-ylpyrimidine is Clc1ccc(-c2ccnc(N3CCNCC3)n2)c(Cl)c1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-2-piperazin-1-ylpyrimidine?
The InChIKey is ZIIFDGYRNHUVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4/c15-10-1-2-11(12(16)9-10)13-3-4-18-14(19-13)20-7-5-17-6-8-20/h1-4,9,17H,5-8H2.
What are the key properties of 4-(2,4-dichlorophenyl)-2-piperazin-1-ylpyrimidine?
4-(2,4-dichlorophenyl)-2-piperazin-1-ylpyrimidine has a molecular weight of 309.20 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 103278321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).