2-N-thiophen-3-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine

C10H9F3N4S — CID 162645318

IUPAC2-N-thiophen-3-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
SMILESFC(F)(F)CNc1ccnc(Nc2ccsc2)n1
InChIInChI=1S/C10H9F3N4S/c11-10(12,13)6-15-8-1-3-14-9(17-8)16-7-2-4-18-5-7/h1-5H,6H2,(H2,14,15,16,17)
InChIKeyBCTIRMMNJNSTDA-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.26
Rot. Bonds4

About 2-N-thiophen-3-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine

2-N-thiophen-3-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine (PubChem CID 162645318) has the molecular formula C10H9F3N4S and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-N-thiophen-3-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-thiophen-3-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
PubChem CID162645318
Molecular FormulaC10H9F3N4S
Molecular Weight274.27 g/mol
Exact Mass274.05
IUPAC Name2-N-thiophen-3-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
SMILESFC(F)(F)CNc1ccnc(Nc2ccsc2)n1
InChIInChI=1S/C10H9F3N4S/c11-10(12,13)6-15-8-1-3-14-9(17-8)16-7-2-4-18-5-7/h1-5H,6H2,(H2,14,15,16,17)
InChIKeyBCTIRMMNJNSTDA-UHFFFAOYSA-N
XLogP3.26
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-thiophen-3-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-thiophen-3-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine (CID 162645318) is 2-N-thiophen-3-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-thiophen-3-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-thiophen-3-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine is FC(F)(F)CNc1ccnc(Nc2ccsc2)n1.
What is the InChIKey of 2-N-thiophen-3-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The InChIKey is BCTIRMMNJNSTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4S/c11-10(12,13)6-15-8-1-3-14-9(17-8)16-7-2-4-18-5-7/h1-5H,6H2,(H2,14,15,16,17).
What are the key properties of 2-N-thiophen-3-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
2-N-thiophen-3-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine has a molecular weight of 274.27 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-thiophen-3-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 162645318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).