6-(trifluoromethyl)-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-diamine

C9H8F6N4 — CID 106219481

IUPAC6-(trifluoromethyl)-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-diamine
SMILESNc1nc(NC2(C(F)(F)F)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C9H8F6N4/c10-8(11,12)4-3-5(18-6(16)17-4)19-7(1-2-7)9(13,14)15/h3H,1-2H2,(H3,16,17,18,19)
InChIKeyJCTUBOINWDXQCI-UHFFFAOYSA-N
MW286.18 g/mol
LogP2.58
Rot. Bonds2

About 6-(trifluoromethyl)-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-diamine

6-(trifluoromethyl)-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-diamine (PubChem CID 106219481) has the molecular formula C9H8F6N4 and a molecular weight of 286.18 g/mol. Its IUPAC name is 6-(trifluoromethyl)-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(trifluoromethyl)-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-diamine
PubChem CID106219481
Molecular FormulaC9H8F6N4
Molecular Weight286.18 g/mol
Exact Mass286.07
IUPAC Name6-(trifluoromethyl)-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-diamine
SMILESNc1nc(NC2(C(F)(F)F)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C9H8F6N4/c10-8(11,12)4-3-5(18-6(16)17-4)19-7(1-2-7)9(13,14)15/h3H,1-2H2,(H3,16,17,18,19)
InChIKeyJCTUBOINWDXQCI-UHFFFAOYSA-N
XLogP2.58
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.18
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-(trifluoromethyl)-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-diamine (CID 106219481) is 6-(trifluoromethyl)-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(trifluoromethyl)-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-(trifluoromethyl)-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-diamine is Nc1nc(NC2(C(F)(F)F)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 6-(trifluoromethyl)-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-diamine?
The InChIKey is JCTUBOINWDXQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F6N4/c10-8(11,12)4-3-5(18-6(16)17-4)19-7(1-2-7)9(13,14)15/h3H,1-2H2,(H3,16,17,18,19).
What are the key properties of 6-(trifluoromethyl)-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-diamine?
6-(trifluoromethyl)-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-diamine has a molecular weight of 286.18 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 106219481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).