4-(4-ethylphenyl)-2-piperazin-1-yl-6-(trifluoromethyl)pyrimidine

C17H19F3N4 — CID 19621605

IUPAC4-(4-ethylphenyl)-2-piperazin-1-yl-6-(trifluoromethyl)pyrimidine
SMILESCCc1ccc(-c2cc(C(F)(F)F)nc(N3CCNCC3)n2)cc1
InChIInChI=1S/C17H19F3N4/c1-2-12-3-5-13(6-4-12)14-11-15(17(18,19)20)23-16(22-14)24-9-7-21-8-10-24/h3-6,11,21H,2,7-10H2,1H3
InChIKeyBJGJEAIPWYCBNI-UHFFFAOYSA-N
MW336.36 g/mol
LogP3.13
Rot. Bonds3

About 4-(4-ethylphenyl)-2-piperazin-1-yl-6-(trifluoromethyl)pyrimidine

4-(4-ethylphenyl)-2-piperazin-1-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 19621605) has the molecular formula C17H19F3N4 and a molecular weight of 336.36 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-2-piperazin-1-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(4-ethylphenyl)-2-piperazin-1-yl-6-(trifluoromethyl)pyrimidine
PubChem CID19621605
Molecular FormulaC17H19F3N4
Molecular Weight336.36 g/mol
Exact Mass336.16
IUPAC Name4-(4-ethylphenyl)-2-piperazin-1-yl-6-(trifluoromethyl)pyrimidine
SMILESCCc1ccc(-c2cc(C(F)(F)F)nc(N3CCNCC3)n2)cc1
InChIInChI=1S/C17H19F3N4/c1-2-12-3-5-13(6-4-12)14-11-15(17(18,19)20)23-16(22-14)24-9-7-21-8-10-24/h3-6,11,21H,2,7-10H2,1H3
InChIKeyBJGJEAIPWYCBNI-UHFFFAOYSA-N
XLogP3.13
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-2-piperazin-1-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(4-ethylphenyl)-2-piperazin-1-yl-6-(trifluoromethyl)pyrimidine (CID 19621605) is 4-(4-ethylphenyl)-2-piperazin-1-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(4-ethylphenyl)-2-piperazin-1-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(4-ethylphenyl)-2-piperazin-1-yl-6-(trifluoromethyl)pyrimidine is CCc1ccc(-c2cc(C(F)(F)F)nc(N3CCNCC3)n2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-2-piperazin-1-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is BJGJEAIPWYCBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4/c1-2-12-3-5-13(6-4-12)14-11-15(17(18,19)20)23-16(22-14)24-9-7-21-8-10-24/h3-6,11,21H,2,7-10H2,1H3.
What are the key properties of 4-(4-ethylphenyl)-2-piperazin-1-yl-6-(trifluoromethyl)pyrimidine?
4-(4-ethylphenyl)-2-piperazin-1-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 336.36 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-2-piperazin-1-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 19621605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).