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

C17H23N5 — CID 46891062

IUPAC2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyrimidin-4-amine
SMILESCN1CCN(c2nccc(NCCc3ccccc3)n2)CC1
InChIInChI=1S/C17H23N5/c1-21-11-13-22(14-12-21)17-19-10-8-16(20-17)18-9-7-15-5-3-2-4-6-15/h2-6,8,10H,7,9,11-14H2,1H3,(H,18,19,20)
InChIKeyWUFOFZBXUSTQCN-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.88
Rot. Bonds5

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

2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyrimidin-4-amine (PubChem CID 46891062) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyrimidin-4-amine
PubChem CID46891062
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyrimidin-4-amine
SMILESCN1CCN(c2nccc(NCCc3ccccc3)n2)CC1
InChIInChI=1S/C17H23N5/c1-21-11-13-22(14-12-21)17-19-10-8-16(20-17)18-9-7-15-5-3-2-4-6-15/h2-6,8,10H,7,9,11-14H2,1H3,(H,18,19,20)
InChIKeyWUFOFZBXUSTQCN-UHFFFAOYSA-N
XLogP1.88
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyrimidin-4-amine?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyrimidin-4-amine (CID 46891062) is 2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyrimidin-4-amine is CN1CCN(c2nccc(NCCc3ccccc3)n2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyrimidin-4-amine?
The InChIKey is WUFOFZBXUSTQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-21-11-13-22(14-12-21)17-19-10-8-16(20-17)18-9-7-15-5-3-2-4-6-15/h2-6,8,10H,7,9,11-14H2,1H3,(H,18,19,20).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyrimidin-4-amine?
2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyrimidin-4-amine has a molecular weight of 297.41 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyrimidin-4-amine is sourced from PubChem (CID 46891062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).