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

C16H21N5 — CID 80939059

IUPAC2-ethyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCc1nc(N)cc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C16H21N5/c1-2-15-18-14(17)12-16(19-15)21-10-8-20(9-11-21)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H2,17,18,19)
InChIKeyCYFGZUCNQMTWEO-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.95
Rot. Bonds3

About 2-ethyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine

2-ethyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (PubChem CID 80939059) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-ethyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
PubChem CID80939059
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name2-ethyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
SMILESCCc1nc(N)cc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C16H21N5/c1-2-15-18-14(17)12-16(19-15)21-10-8-20(9-11-21)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H2,17,18,19)
InChIKeyCYFGZUCNQMTWEO-UHFFFAOYSA-N
XLogP1.95
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine (CID 80939059) is 2-ethyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is CCc1nc(N)cc(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of 2-ethyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
The InChIKey is CYFGZUCNQMTWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-2-15-18-14(17)12-16(19-15)21-10-8-20(9-11-21)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3,(H2,17,18,19).
What are the key properties of 2-ethyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine?
2-ethyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine has a molecular weight of 283.38 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80939059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).