5-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine

C6H7F3N4 — CID 70662051

IUPAC5-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(CC(F)(F)F)c(N)n1
InChIInChI=1S/C6H7F3N4/c7-6(8,9)1-3-2-12-5(11)13-4(3)10/h2H,1H2,(H4,10,11,12,13)
InChIKeyKJGODNINBJJKNM-UHFFFAOYSA-N
MW192.14 g/mol
LogP0.75
Rot. Bonds1

About 5-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine

5-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine (PubChem CID 70662051) has the molecular formula C6H7F3N4 and a molecular weight of 192.14 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
PubChem CID70662051
Molecular FormulaC6H7F3N4
Molecular Weight192.14 g/mol
Exact Mass192.06
IUPAC Name5-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(CC(F)(F)F)c(N)n1
InChIInChI=1S/C6H7F3N4/c7-6(8,9)1-3-2-12-5(11)13-4(3)10/h2H,1H2,(H4,10,11,12,13)
InChIKeyKJGODNINBJJKNM-UHFFFAOYSA-N
XLogP0.75
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine (CID 70662051) is 5-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine is Nc1ncc(CC(F)(F)F)c(N)n1.
What is the InChIKey of 5-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The InChIKey is KJGODNINBJJKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4/c7-6(8,9)1-3-2-12-5(11)13-4(3)10/h2H,1H2,(H4,10,11,12,13).
What are the key properties of 5-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
5-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine has a molecular weight of 192.14 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 70662051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).