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

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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).