4-(4-methylpiperazin-1-yl)-6-(1-phenylethyl)pyrimidin-2-amine

C17H23N5 — CID 24797695

IUPAC4-(4-methylpiperazin-1-yl)-6-(1-phenylethyl)pyrimidin-2-amine
SMILESCC(c1ccccc1)c1cc(N2CCN(C)CC2)nc(N)n1
InChIInChI=1S/C17H23N5/c1-13(14-6-4-3-5-7-14)15-12-16(20-17(18)19-15)22-10-8-21(2)9-11-22/h3-7,12-13H,8-11H2,1-2H3,(H2,18,19,20)
InChIKeyGKUAWIUTUITIAN-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.96
Rot. Bonds3

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

4-(4-methylpiperazin-1-yl)-6-(1-phenylethyl)pyrimidin-2-amine (PubChem CID 24797695) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-6-(1-phenylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-6-(1-phenylethyl)pyrimidin-2-amine
PubChem CID24797695
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name4-(4-methylpiperazin-1-yl)-6-(1-phenylethyl)pyrimidin-2-amine
SMILESCC(c1ccccc1)c1cc(N2CCN(C)CC2)nc(N)n1
InChIInChI=1S/C17H23N5/c1-13(14-6-4-3-5-7-14)15-12-16(20-17(18)19-15)22-10-8-21(2)9-11-22/h3-7,12-13H,8-11H2,1-2H3,(H2,18,19,20)
InChIKeyGKUAWIUTUITIAN-UHFFFAOYSA-N
XLogP1.96
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.96
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-(1-phenylethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-6-(1-phenylethyl)pyrimidin-2-amine (CID 24797695) is 4-(4-methylpiperazin-1-yl)-6-(1-phenylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-6-(1-phenylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-6-(1-phenylethyl)pyrimidin-2-amine is CC(c1ccccc1)c1cc(N2CCN(C)CC2)nc(N)n1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-6-(1-phenylethyl)pyrimidin-2-amine?
The InChIKey is GKUAWIUTUITIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-13(14-6-4-3-5-7-14)15-12-16(20-17(18)19-15)22-10-8-21(2)9-11-22/h3-7,12-13H,8-11H2,1-2H3,(H2,18,19,20).
What are the key properties of 4-(4-methylpiperazin-1-yl)-6-(1-phenylethyl)pyrimidin-2-amine?
4-(4-methylpiperazin-1-yl)-6-(1-phenylethyl)pyrimidin-2-amine has a molecular weight of 297.41 g/mol, XLogP of 1.96, 3 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-(1-phenylethyl)pyrimidin-2-amine is sourced from PubChem (CID 24797695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).