5-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine

C14H17ClN6 — CID 138460007

IUPAC5-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine
SMILESNc1ncc(N2CCN(c3ccc(Cl)cc3)CC2)c(N)n1
InChIInChI=1S/C14H17ClN6/c15-10-1-3-11(4-2-10)20-5-7-21(8-6-20)12-9-18-14(17)19-13(12)16/h1-4,9H,5-8H2,(H4,16,17,18,19)
InChIKeyWIVLWIBQXXJWKL-UHFFFAOYSA-N
MW304.79 g/mol
LogP1.62
Rot. Bonds2

About 5-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine

5-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine (PubChem CID 138460007) has the molecular formula C14H17ClN6 and a molecular weight of 304.79 g/mol. Its IUPAC name is 5-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine
PubChem CID138460007
Molecular FormulaC14H17ClN6
Molecular Weight304.79 g/mol
Exact Mass304.12
IUPAC Name5-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine
SMILESNc1ncc(N2CCN(c3ccc(Cl)cc3)CC2)c(N)n1
InChIInChI=1S/C14H17ClN6/c15-10-1-3-11(4-2-10)20-5-7-21(8-6-20)12-9-18-14(17)19-13(12)16/h1-4,9H,5-8H2,(H4,16,17,18,19)
InChIKeyWIVLWIBQXXJWKL-UHFFFAOYSA-N
XLogP1.62
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.79
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine 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 5-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine (CID 138460007) is 5-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine is Nc1ncc(N2CCN(c3ccc(Cl)cc3)CC2)c(N)n1.
What is the InChIKey of 5-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is WIVLWIBQXXJWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN6/c15-10-1-3-11(4-2-10)20-5-7-21(8-6-20)12-9-18-14(17)19-13(12)16/h1-4,9H,5-8H2,(H4,16,17,18,19).
What are the key properties of 5-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine?
5-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 304.79 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 138460007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).