4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine

C15H19N5 — CID 25129523

IUPAC4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
SMILESCN1CCN(c2cc(-c3ccccc3)nc(N)n2)CC1
InChIInChI=1S/C15H19N5/c1-19-7-9-20(10-8-19)14-11-13(17-15(16)18-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,16,17,18)
InChIKeyNIJGWJIOMPHDBP-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.48
Rot. Bonds2

About 4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine

4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine (PubChem CID 25129523) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
PubChem CID25129523
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
SMILESCN1CCN(c2cc(-c3ccccc3)nc(N)n2)CC1
InChIInChI=1S/C15H19N5/c1-19-7-9-20(10-8-19)14-11-13(17-15(16)18-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,16,17,18)
InChIKeyNIJGWJIOMPHDBP-UHFFFAOYSA-N
XLogP1.48
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine (CID 25129523) is 4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine is CN1CCN(c2cc(-c3ccccc3)nc(N)n2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine?
The InChIKey is NIJGWJIOMPHDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-19-7-9-20(10-8-19)14-11-13(17-15(16)18-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,16,17,18).
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine?
4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine has a molecular weight of 269.35 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 25129523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).