2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)-4-(3,3,3-trifluoropropyl)pyrimidine

C15H22F3N5O2S — CID 56871045

IUPAC2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)-4-(3,3,3-trifluoropropyl)pyrimidine
SMILESO=S(=O)(N1CCCC1)N1CCN(c2nccc(CCC(F)(F)F)n2)CC1
InChIInChI=1S/C15H22F3N5O2S/c16-15(17,18)5-3-13-4-6-19-14(20-13)21-9-11-23(12-10-21)26(24,25)22-7-1-2-8-22/h4,6H,1-3,5,7-12H2
InChIKeyWZHJNCLVDGAZNL-UHFFFAOYSA-N
MW393.44 g/mol
LogP1.43
Rot. Bonds5

About 2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)-4-(3,3,3-trifluoropropyl)pyrimidine

2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)-4-(3,3,3-trifluoropropyl)pyrimidine (PubChem CID 56871045) has the molecular formula C15H22F3N5O2S and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)-4-(3,3,3-trifluoropropyl)pyrimidine.

Molecular Properties

Compound Name2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)-4-(3,3,3-trifluoropropyl)pyrimidine
PubChem CID56871045
Molecular FormulaC15H22F3N5O2S
Molecular Weight393.44 g/mol
Exact Mass393.14
IUPAC Name2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)-4-(3,3,3-trifluoropropyl)pyrimidine
SMILESO=S(=O)(N1CCCC1)N1CCN(c2nccc(CCC(F)(F)F)n2)CC1
InChIInChI=1S/C15H22F3N5O2S/c16-15(17,18)5-3-13-4-6-19-14(20-13)21-9-11-23(12-10-21)26(24,25)22-7-1-2-8-22/h4,6H,1-3,5,7-12H2
InChIKeyWZHJNCLVDGAZNL-UHFFFAOYSA-N
XLogP1.43
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-sulfonamide
CID 9819260
N-Ethyl-N-{1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]pyrrolidin-3-YL}acetamide
CID 56865162
N-methyl-N-(pyrimidin-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56872320
N,N-dimethyl-4-pyrimidin-4-ylpiperidine-1-sulfonamide
CID 73439009
N,N-dimethyl-3-pyrimidin-4-ylpiperidine-1-sulfonamide
CID 73439495
N,N-dimethyl-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperazine-1-sulfonamide
CID 95808509
2-tert-butyl-6-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56711517
2-[3-(2-Methylpiperidin-1-yl)azetidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56861551
N-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56862554
1-(2-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-yl]amino}ethyl)imidazolidin-2-one
CID 56862662
2-[4-(2-Ethoxyethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56863286
N-{1-[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]piperidin-4-YL}methanesulfonamide
CID 56863350

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)-4-(3,3,3-trifluoropropyl)pyrimidine?
The IUPAC name of 2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)-4-(3,3,3-trifluoropropyl)pyrimidine (CID 56871045) is 2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)-4-(3,3,3-trifluoropropyl)pyrimidine.
What is the SMILES notation for 2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)-4-(3,3,3-trifluoropropyl)pyrimidine?
The canonical SMILES for 2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)-4-(3,3,3-trifluoropropyl)pyrimidine is O=S(=O)(N1CCCC1)N1CCN(c2nccc(CCC(F)(F)F)n2)CC1.
What is the InChIKey of 2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)-4-(3,3,3-trifluoropropyl)pyrimidine?
The InChIKey is WZHJNCLVDGAZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N5O2S/c16-15(17,18)5-3-13-4-6-19-14(20-13)21-9-11-23(12-10-21)26(24,25)22-7-1-2-8-22/h4,6H,1-3,5,7-12H2.
What are the key properties of 2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)-4-(3,3,3-trifluoropropyl)pyrimidine?
2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)-4-(3,3,3-trifluoropropyl)pyrimidine has a molecular weight of 393.44 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)-4-(3,3,3-trifluoropropyl)pyrimidine is sourced from PubChem (CID 56871045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).