5-[3-(trifluoromethyl)thiophen-2-yl]pyrimidine-2,4-diamine

C9H7F3N4S — CID 140523370

IUPAC5-[3-(trifluoromethyl)thiophen-2-yl]pyrimidine-2,4-diamine
SMILESNc1ncc(-c2sccc2C(F)(F)F)c(N)n1
InChIInChI=1S/C9H7F3N4S/c10-9(11,12)5-1-2-17-6(5)4-3-15-8(14)16-7(4)13/h1-3H,(H4,13,14,15,16)
InChIKeySURDGDPHYXCFFH-UHFFFAOYSA-N
MW260.24 g/mol
LogP2.39
Rot. Bonds1

About 5-[3-(trifluoromethyl)thiophen-2-yl]pyrimidine-2,4-diamine

5-[3-(trifluoromethyl)thiophen-2-yl]pyrimidine-2,4-diamine (PubChem CID 140523370) has the molecular formula C9H7F3N4S and a molecular weight of 260.24 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)thiophen-2-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)thiophen-2-yl]pyrimidine-2,4-diamine
PubChem CID140523370
Molecular FormulaC9H7F3N4S
Molecular Weight260.24 g/mol
Exact Mass260.03
IUPAC Name5-[3-(trifluoromethyl)thiophen-2-yl]pyrimidine-2,4-diamine
SMILESNc1ncc(-c2sccc2C(F)(F)F)c(N)n1
InChIInChI=1S/C9H7F3N4S/c10-9(11,12)5-1-2-17-6(5)4-3-15-8(14)16-7(4)13/h1-3H,(H4,13,14,15,16)
InChIKeySURDGDPHYXCFFH-UHFFFAOYSA-N
XLogP2.39
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)thiophen-2-yl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[3-(trifluoromethyl)thiophen-2-yl]pyrimidine-2,4-diamine (CID 140523370) is 5-[3-(trifluoromethyl)thiophen-2-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[3-(trifluoromethyl)thiophen-2-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[3-(trifluoromethyl)thiophen-2-yl]pyrimidine-2,4-diamine is Nc1ncc(-c2sccc2C(F)(F)F)c(N)n1.
What is the InChIKey of 5-[3-(trifluoromethyl)thiophen-2-yl]pyrimidine-2,4-diamine?
The InChIKey is SURDGDPHYXCFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4S/c10-9(11,12)5-1-2-17-6(5)4-3-15-8(14)16-7(4)13/h1-3H,(H4,13,14,15,16).
What are the key properties of 5-[3-(trifluoromethyl)thiophen-2-yl]pyrimidine-2,4-diamine?
5-[3-(trifluoromethyl)thiophen-2-yl]pyrimidine-2,4-diamine has a molecular weight of 260.24 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)thiophen-2-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 140523370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).