4-(2,4-dichlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine

C19H17Cl2N5 — CID 24964054

IUPAC4-(2,4-dichlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine
SMILESClc1ccc(-c2cc(N3CCN(c4ccncc4)CC3)ncn2)c(Cl)c1
InChIInChI=1S/C19H17Cl2N5/c20-14-1-2-16(17(21)11-14)18-12-19(24-13-23-18)26-9-7-25(8-10-26)15-3-5-22-6-4-15/h1-6,11-13H,7-10H2
InChIKeyJNTHKMXBVCQWOS-UHFFFAOYSA-N
MW386.29 g/mol
LogP4.17
Rot. Bonds3

About 4-(2,4-dichlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine

4-(2,4-dichlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine (PubChem CID 24964054) has the molecular formula C19H17Cl2N5 and a molecular weight of 386.29 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine
PubChem CID24964054
Molecular FormulaC19H17Cl2N5
Molecular Weight386.29 g/mol
Exact Mass385.09
IUPAC Name4-(2,4-dichlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine
SMILESClc1ccc(-c2cc(N3CCN(c4ccncc4)CC3)ncn2)c(Cl)c1
InChIInChI=1S/C19H17Cl2N5/c20-14-1-2-16(17(21)11-14)18-12-19(24-13-23-18)26-9-7-25(8-10-26)15-3-5-22-6-4-15/h1-6,11-13H,7-10H2
InChIKeyJNTHKMXBVCQWOS-UHFFFAOYSA-N
XLogP4.17
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.29
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(2,4-dichlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine 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

3-(6-chloropyrimidin-4-yl)-9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane
CID 59401695
3-(2,4-dichlorophenyl)-1-pyridin-4-ylpyrazol-5-amine
CID 43543157
4-(2,4-dichlorophenyl)-6-methoxypyrimidine
CID 50971015
1-(2-chloro-4-pyridinyl)-4-pyridin-4-ylpiperazine
CID 133373099
4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 58273412
2,5-dichloro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545170
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6-pyrrolidin-1-ylpyrimidine
CID 154575798
4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-6-piperidin-1-ylpyrimidine
CID 133297534
N-[2-(2,4-dichlorophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855709
4-pyrrolidin-1-ylpyridine
CID 158456628
N-[2-(2,4-dichlorophenyl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856076
4-[6-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 122282658

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-(2,4-dichlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine (CID 24964054) is 4-(2,4-dichlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine is Clc1ccc(-c2cc(N3CCN(c4ccncc4)CC3)ncn2)c(Cl)c1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine?
The InChIKey is JNTHKMXBVCQWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N5/c20-14-1-2-16(17(21)11-14)18-12-19(24-13-23-18)26-9-7-25(8-10-26)15-3-5-22-6-4-15/h1-6,11-13H,7-10H2.
What are the key properties of 4-(2,4-dichlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine?
4-(2,4-dichlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine has a molecular weight of 386.29 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 24964054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).