4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C15H18ClN5 — CID 25129528

IUPAC4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(-c3cccc(Cl)c3)nc(N)n2)CC1
InChIInChI=1S/C15H18ClN5/c1-20-5-7-21(8-6-20)14-10-13(18-15(17)19-14)11-3-2-4-12(16)9-11/h2-4,9-10H,5-8H2,1H3,(H2,17,18,19)
InChIKeyGOPJKHIZASURGR-UHFFFAOYSA-N
MW303.80 g/mol
LogP2.13
Rot. Bonds2

About 4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 25129528) has the molecular formula C15H18ClN5 and a molecular weight of 303.80 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID25129528
Molecular FormulaC15H18ClN5
Molecular Weight303.80 g/mol
Exact Mass303.13
IUPAC Name4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(-c3cccc(Cl)c3)nc(N)n2)CC1
InChIInChI=1S/C15H18ClN5/c1-20-5-7-21(8-6-20)14-10-13(18-15(17)19-14)11-3-2-4-12(16)9-11/h2-4,9-10H,5-8H2,1H3,(H2,17,18,19)
InChIKeyGOPJKHIZASURGR-UHFFFAOYSA-N
XLogP2.13
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.80
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 25129528) is 4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is CN1CCN(c2cc(-c3cccc(Cl)c3)nc(N)n2)CC1.
What is the InChIKey of 4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is GOPJKHIZASURGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5/c1-20-5-7-21(8-6-20)14-10-13(18-15(17)19-14)11-3-2-4-12(16)9-11/h2-4,9-10H,5-8H2,1H3,(H2,17,18,19).
What are the key properties of 4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 303.80 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 25129528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).