2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine

C10H12F3N3S — CID 19621135

IUPAC2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine
SMILESNCCSc1nc(C2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3S/c11-10(12,13)8-5-7(6-1-2-6)15-9(16-8)17-4-3-14/h5-6H,1-4,14H2
InChIKeySWNZESZIODNYOL-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.42
Rot. Bonds4

About 2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine

2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine (PubChem CID 19621135) has the molecular formula C10H12F3N3S and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine.

Molecular Properties

Compound Name2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine
PubChem CID19621135
Molecular FormulaC10H12F3N3S
Molecular Weight263.29 g/mol
Exact Mass263.07
IUPAC Name2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine
SMILESNCCSc1nc(C2CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H12F3N3S/c11-10(12,13)8-5-7(6-1-2-6)15-9(16-8)17-4-3-14/h5-6H,1-4,14H2
InChIKeySWNZESZIODNYOL-UHFFFAOYSA-N
XLogP2.42
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine?
The IUPAC name of 2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine (CID 19621135) is 2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine.
What is the SMILES notation for 2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine?
The canonical SMILES for 2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine is NCCSc1nc(C2CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine?
The InChIKey is SWNZESZIODNYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3S/c11-10(12,13)8-5-7(6-1-2-6)15-9(16-8)17-4-3-14/h5-6H,1-4,14H2.
What are the key properties of 2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine?
2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine has a molecular weight of 263.29 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanamine is sourced from PubChem (CID 19621135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).