6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

C14H17N5 — CID 78929760

IUPAC6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESNc1cc(N2CCN(c3ccccc3)CC2)ncn1
InChIInChI=1S/C14H17N5/c15-13-10-14(17-11-16-13)19-8-6-18(7-9-19)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H2,15,16,17)
InChIKeyJTWBUWMZPXSVRL-UHFFFAOYSA-N
MW255.33 g/mol
LogP1.39
Rot. Bonds2

About 6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 78929760) has the molecular formula C14H17N5 and a molecular weight of 255.33 g/mol. Its IUPAC name is 6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID78929760
Molecular FormulaC14H17N5
Molecular Weight255.33 g/mol
Exact Mass255.15
IUPAC Name6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESNc1cc(N2CCN(c3ccccc3)CC2)ncn1
InChIInChI=1S/C14H17N5/c15-13-10-14(17-11-16-13)19-8-6-18(7-9-19)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H2,15,16,17)
InChIKeyJTWBUWMZPXSVRL-UHFFFAOYSA-N
XLogP1.39
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of 6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (CID 78929760) is 6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is Nc1cc(N2CCN(c3ccccc3)CC2)ncn1.
What is the InChIKey of 6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is JTWBUWMZPXSVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c15-13-10-14(17-11-16-13)19-8-6-18(7-9-19)12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H2,15,16,17).
What are the key properties of 6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 255.33 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 78929760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).