6-hydrazinyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine

C7H11F3N6 — CID 80898766

IUPAC6-hydrazinyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
SMILESCN(CC(F)(F)F)c1cc(NN)nc(N)n1
InChIInChI=1S/C7H11F3N6/c1-16(3-7(8,9)10)5-2-4(15-12)13-6(11)14-5/h2H,3,12H2,1H3,(H3,11,13,14,15)
InChIKeyKTSDXOVEDXCOFR-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.34
Rot. Bonds3

About 6-hydrazinyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine

6-hydrazinyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine (PubChem CID 80898766) has the molecular formula C7H11F3N6 and a molecular weight of 236.20 g/mol. Its IUPAC name is 6-hydrazinyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-hydrazinyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
PubChem CID80898766
Molecular FormulaC7H11F3N6
Molecular Weight236.20 g/mol
Exact Mass236.10
IUPAC Name6-hydrazinyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
SMILESCN(CC(F)(F)F)c1cc(NN)nc(N)n1
InChIInChI=1S/C7H11F3N6/c1-16(3-7(8,9)10)5-2-4(15-12)13-6(11)14-5/h2H,3,12H2,1H3,(H3,11,13,14,15)
InChIKeyKTSDXOVEDXCOFR-UHFFFAOYSA-N
XLogP0.34
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-hydrazinyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine (CID 80898766) is 6-hydrazinyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-hydrazinyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-hydrazinyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine is CN(CC(F)(F)F)c1cc(NN)nc(N)n1.
What is the InChIKey of 6-hydrazinyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
The InChIKey is KTSDXOVEDXCOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N6/c1-16(3-7(8,9)10)5-2-4(15-12)13-6(11)14-5/h2H,3,12H2,1H3,(H3,11,13,14,15).
What are the key properties of 6-hydrazinyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine?
6-hydrazinyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine has a molecular weight of 236.20 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80898766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).