4-N-cyclopropyl-2-N-thiophen-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine

C12H11F3N4S — CID 46174461

IUPAC4-N-cyclopropyl-2-N-thiophen-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESFC(F)(F)c1cnc(Nc2ccsc2)nc1NC1CC1
InChIInChI=1S/C12H11F3N4S/c13-12(14,15)9-5-16-11(18-8-3-4-20-6-8)19-10(9)17-7-1-2-7/h3-7H,1-2H2,(H2,16,17,18,19)
InChIKeyDSYQWSLVLNHKOF-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.87
Rot. Bonds4

About 4-N-cyclopropyl-2-N-thiophen-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-cyclopropyl-2-N-thiophen-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 46174461) has the molecular formula C12H11F3N4S and a molecular weight of 300.31 g/mol. Its IUPAC name is 4-N-cyclopropyl-2-N-thiophen-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-2-N-thiophen-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID46174461
Molecular FormulaC12H11F3N4S
Molecular Weight300.31 g/mol
Exact Mass300.07
IUPAC Name4-N-cyclopropyl-2-N-thiophen-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESFC(F)(F)c1cnc(Nc2ccsc2)nc1NC1CC1
InChIInChI=1S/C12H11F3N4S/c13-12(14,15)9-5-16-11(18-8-3-4-20-6-8)19-10(9)17-7-1-2-7/h3-7H,1-2H2,(H2,16,17,18,19)
InChIKeyDSYQWSLVLNHKOF-UHFFFAOYSA-N
XLogP3.87
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-2-N-thiophen-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopropyl-2-N-thiophen-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine (CID 46174461) is 4-N-cyclopropyl-2-N-thiophen-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-2-N-thiophen-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-2-N-thiophen-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine is FC(F)(F)c1cnc(Nc2ccsc2)nc1NC1CC1.
What is the InChIKey of 4-N-cyclopropyl-2-N-thiophen-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is DSYQWSLVLNHKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4S/c13-12(14,15)9-5-16-11(18-8-3-4-20-6-8)19-10(9)17-7-1-2-7/h3-7H,1-2H2,(H2,16,17,18,19).
What are the key properties of 4-N-cyclopropyl-2-N-thiophen-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-cyclopropyl-2-N-thiophen-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 300.31 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-2-N-thiophen-3-yl-5-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 46174461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).