4-[1-[[1-(trifluoromethyl)cyclopropyl]methylsulfonyl]piperidin-3-yl]pyrimidin-2-amine

C14H19F3N4O2S — CID 166255221

IUPAC4-[1-[[1-(trifluoromethyl)cyclopropyl]methylsulfonyl]piperidin-3-yl]pyrimidin-2-amine
SMILESNc1nccc(C2CCCN(S(=O)(=O)CC3(C(F)(F)F)CC3)C2)n1
InChIInChI=1S/C14H19F3N4O2S/c15-14(16,17)13(4-5-13)9-24(22,23)21-7-1-2-10(8-21)11-3-6-19-12(18)20-11/h3,6,10H,1-2,4-5,7-9H2,(H2,18,19,20)
InChIKeyHBPGOMTYVOVFPL-UHFFFAOYSA-N
MW364.39 g/mol
LogP1.91
Rot. Bonds4

About 4-[1-[[1-(trifluoromethyl)cyclopropyl]methylsulfonyl]piperidin-3-yl]pyrimidin-2-amine

4-[1-[[1-(trifluoromethyl)cyclopropyl]methylsulfonyl]piperidin-3-yl]pyrimidin-2-amine (PubChem CID 166255221) has the molecular formula C14H19F3N4O2S and a molecular weight of 364.39 g/mol. Its IUPAC name is 4-[1-[[1-(trifluoromethyl)cyclopropyl]methylsulfonyl]piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-[[1-(trifluoromethyl)cyclopropyl]methylsulfonyl]piperidin-3-yl]pyrimidin-2-amine
PubChem CID166255221
Molecular FormulaC14H19F3N4O2S
Molecular Weight364.39 g/mol
Exact Mass364.12
IUPAC Name4-[1-[[1-(trifluoromethyl)cyclopropyl]methylsulfonyl]piperidin-3-yl]pyrimidin-2-amine
SMILESNc1nccc(C2CCCN(S(=O)(=O)CC3(C(F)(F)F)CC3)C2)n1
InChIInChI=1S/C14H19F3N4O2S/c15-14(16,17)13(4-5-13)9-24(22,23)21-7-1-2-10(8-21)11-3-6-19-12(18)20-11/h3,6,10H,1-2,4-5,7-9H2,(H2,18,19,20)
InChIKeyHBPGOMTYVOVFPL-UHFFFAOYSA-N
XLogP1.91
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[[1-(trifluoromethyl)cyclopropyl]methylsulfonyl]piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[1-[[1-(trifluoromethyl)cyclopropyl]methylsulfonyl]piperidin-3-yl]pyrimidin-2-amine (CID 166255221) is 4-[1-[[1-(trifluoromethyl)cyclopropyl]methylsulfonyl]piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[1-[[1-(trifluoromethyl)cyclopropyl]methylsulfonyl]piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[1-[[1-(trifluoromethyl)cyclopropyl]methylsulfonyl]piperidin-3-yl]pyrimidin-2-amine is Nc1nccc(C2CCCN(S(=O)(=O)CC3(C(F)(F)F)CC3)C2)n1.
What is the InChIKey of 4-[1-[[1-(trifluoromethyl)cyclopropyl]methylsulfonyl]piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is HBPGOMTYVOVFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2S/c15-14(16,17)13(4-5-13)9-24(22,23)21-7-1-2-10(8-21)11-3-6-19-12(18)20-11/h3,6,10H,1-2,4-5,7-9H2,(H2,18,19,20).
What are the key properties of 4-[1-[[1-(trifluoromethyl)cyclopropyl]methylsulfonyl]piperidin-3-yl]pyrimidin-2-amine?
4-[1-[[1-(trifluoromethyl)cyclopropyl]methylsulfonyl]piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 364.39 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[1-(trifluoromethyl)cyclopropyl]methylsulfonyl]piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 166255221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).