4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine

C14H15Cl2N5 — CID 52569216

IUPAC4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine
SMILESNc1nc(Cl)cc(N2CCN(c3ccccc3Cl)CC2)n1
InChIInChI=1S/C14H15Cl2N5/c15-10-3-1-2-4-11(10)20-5-7-21(8-6-20)13-9-12(16)18-14(17)19-13/h1-4,9H,5-8H2,(H2,17,18,19)
InChIKeyJLMLCOLDZNACRN-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.69
Rot. Bonds2

About 4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine

4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine (PubChem CID 52569216) has the molecular formula C14H15Cl2N5 and a molecular weight of 324.22 g/mol. Its IUPAC name is 4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine
PubChem CID52569216
Molecular FormulaC14H15Cl2N5
Molecular Weight324.22 g/mol
Exact Mass323.07
IUPAC Name4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine
SMILESNc1nc(Cl)cc(N2CCN(c3ccccc3Cl)CC2)n1
InChIInChI=1S/C14H15Cl2N5/c15-10-3-1-2-4-11(10)20-5-7-21(8-6-20)13-9-12(16)18-14(17)19-13/h1-4,9H,5-8H2,(H2,17,18,19)
InChIKeyJLMLCOLDZNACRN-UHFFFAOYSA-N
XLogP2.69
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine (CID 52569216) is 4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine is Nc1nc(Cl)cc(N2CCN(c3ccccc3Cl)CC2)n1.
What is the InChIKey of 4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is JLMLCOLDZNACRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N5/c15-10-3-1-2-4-11(10)20-5-7-21(8-6-20)13-9-12(16)18-14(17)19-13/h1-4,9H,5-8H2,(H2,17,18,19).
What are the key properties of 4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine?
4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 324.22 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-(2-chlorophenyl)piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 52569216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).