4-ethyl-6-methyl-2-(3-phenylpiperazin-1-yl)pyrimidine

C17H22N4 — CID 166271344

IUPAC4-ethyl-6-methyl-2-(3-phenylpiperazin-1-yl)pyrimidine
SMILESCCc1cc(C)nc(N2CCNC(c3ccccc3)C2)n1
InChIInChI=1S/C17H22N4/c1-3-15-11-13(2)19-17(20-15)21-10-9-18-16(12-21)14-7-5-4-6-8-14/h4-8,11,16,18H,3,9-10,12H2,1-2H3
InChIKeySEBPROKKARKOOH-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.50
Rot. Bonds3

About 4-ethyl-6-methyl-2-(3-phenylpiperazin-1-yl)pyrimidine

4-ethyl-6-methyl-2-(3-phenylpiperazin-1-yl)pyrimidine (PubChem CID 166271344) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-ethyl-6-methyl-2-(3-phenylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-ethyl-6-methyl-2-(3-phenylpiperazin-1-yl)pyrimidine
PubChem CID166271344
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name4-ethyl-6-methyl-2-(3-phenylpiperazin-1-yl)pyrimidine
SMILESCCc1cc(C)nc(N2CCNC(c3ccccc3)C2)n1
InChIInChI=1S/C17H22N4/c1-3-15-11-13(2)19-17(20-15)21-10-9-18-16(12-21)14-7-5-4-6-8-14/h4-8,11,16,18H,3,9-10,12H2,1-2H3
InChIKeySEBPROKKARKOOH-UHFFFAOYSA-N
XLogP2.50
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-methyl-2-(3-phenylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-ethyl-6-methyl-2-(3-phenylpiperazin-1-yl)pyrimidine (CID 166271344) is 4-ethyl-6-methyl-2-(3-phenylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-ethyl-6-methyl-2-(3-phenylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-ethyl-6-methyl-2-(3-phenylpiperazin-1-yl)pyrimidine is CCc1cc(C)nc(N2CCNC(c3ccccc3)C2)n1.
What is the InChIKey of 4-ethyl-6-methyl-2-(3-phenylpiperazin-1-yl)pyrimidine?
The InChIKey is SEBPROKKARKOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-3-15-11-13(2)19-17(20-15)21-10-9-18-16(12-21)14-7-5-4-6-8-14/h4-8,11,16,18H,3,9-10,12H2,1-2H3.
What are the key properties of 4-ethyl-6-methyl-2-(3-phenylpiperazin-1-yl)pyrimidine?
4-ethyl-6-methyl-2-(3-phenylpiperazin-1-yl)pyrimidine has a molecular weight of 282.39 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-methyl-2-(3-phenylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 166271344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).