4-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine

C23H24Cl2N4 — CID 143313793

IUPAC4-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine
SMILESCC(C)N1CCN(c2ncc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C23H24Cl2N4/c1-16(2)28-11-13-29(14-12-28)23-26-15-20(17-7-9-18(24)10-8-17)22(27-23)19-5-3-4-6-21(19)25/h3-10,15-16H,11-14H2,1-2H3
InChIKeyAENHRRKXRHMPQJ-UHFFFAOYSA-N
MW427.38 g/mol
LogP5.65
Rot. Bonds4

About 4-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine

4-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 143313793) has the molecular formula C23H24Cl2N4 and a molecular weight of 427.38 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine
PubChem CID143313793
Molecular FormulaC23H24Cl2N4
Molecular Weight427.38 g/mol
Exact Mass426.14
IUPAC Name4-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine
SMILESCC(C)N1CCN(c2ncc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)n2)CC1
InChIInChI=1S/C23H24Cl2N4/c1-16(2)28-11-13-29(14-12-28)23-26-15-20(17-7-9-18(24)10-8-17)22(27-23)19-5-3-4-6-21(19)25/h3-10,15-16H,11-14H2,1-2H3
InChIKeyAENHRRKXRHMPQJ-UHFFFAOYSA-N
XLogP5.65
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.38
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine (CID 143313793) is 4-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine is CC(C)N1CCN(c2ncc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)n2)CC1.
What is the InChIKey of 4-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is AENHRRKXRHMPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N4/c1-16(2)28-11-13-29(14-12-28)23-26-15-20(17-7-9-18(24)10-8-17)22(27-23)19-5-3-4-6-21(19)25/h3-10,15-16H,11-14H2,1-2H3.
What are the key properties of 4-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine?
4-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine has a molecular weight of 427.38 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 143313793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).