4-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine

C12H15F3N4O2S — CID 91631573

IUPAC4-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine
SMILESO=S(=O)(C1CC1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C12H15F3N4O2S/c13-12(14,15)10-7-11(17-8-16-10)18-3-5-19(6-4-18)22(20,21)9-1-2-9/h7-9H,1-6H2
InChIKeyOOBHKZYJODHMAI-UHFFFAOYSA-N
MW336.34 g/mol
LogP1.11
Rot. Bonds3

About 4-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine

4-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine (PubChem CID 91631573) has the molecular formula C12H15F3N4O2S and a molecular weight of 336.34 g/mol. Its IUPAC name is 4-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine
PubChem CID91631573
Molecular FormulaC12H15F3N4O2S
Molecular Weight336.34 g/mol
Exact Mass336.09
IUPAC Name4-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine
SMILESO=S(=O)(C1CC1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C12H15F3N4O2S/c13-12(14,15)10-7-11(17-8-16-10)18-3-5-19(6-4-18)22(20,21)9-1-2-9/h7-9H,1-6H2
InChIKeyOOBHKZYJODHMAI-UHFFFAOYSA-N
XLogP1.11
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine (CID 91631573) is 4-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine is O=S(=O)(C1CC1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of 4-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine?
The InChIKey is OOBHKZYJODHMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2S/c13-12(14,15)10-7-11(17-8-16-10)18-3-5-19(6-4-18)22(20,21)9-1-2-9/h7-9H,1-6H2.
What are the key properties of 4-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine?
4-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine has a molecular weight of 336.34 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 91631573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).