6-N,5-diethyl-2-methylsulfanyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

C11H17F3N4S — CID 68950792

IUPAC6-N,5-diethyl-2-methylsulfanyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCNc1nc(SC)nc(NCC(F)(F)F)c1CC
InChIInChI=1S/C11H17F3N4S/c1-4-7-8(15-5-2)17-10(19-3)18-9(7)16-6-11(12,13)14/h4-6H2,1-3H3,(H2,15,16,17,18)
InChIKeyDGNCPYVZRRFMGE-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.17
Rot. Bonds6

About 6-N,5-diethyl-2-methylsulfanyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

6-N,5-diethyl-2-methylsulfanyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 68950792) has the molecular formula C11H17F3N4S and a molecular weight of 294.35 g/mol. Its IUPAC name is 6-N,5-diethyl-2-methylsulfanyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,5-diethyl-2-methylsulfanyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID68950792
Molecular FormulaC11H17F3N4S
Molecular Weight294.35 g/mol
Exact Mass294.11
IUPAC Name6-N,5-diethyl-2-methylsulfanyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCNc1nc(SC)nc(NCC(F)(F)F)c1CC
InChIInChI=1S/C11H17F3N4S/c1-4-7-8(15-5-2)17-10(19-3)18-9(7)16-6-11(12,13)14/h4-6H2,1-3H3,(H2,15,16,17,18)
InChIKeyDGNCPYVZRRFMGE-UHFFFAOYSA-N
XLogP3.17
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-N,5-diethyl-2-methylsulfanyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-N,5-diethyl-2-methylsulfanyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N,5-diethyl-2-methylsulfanyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 68950792) is 6-N,5-diethyl-2-methylsulfanyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,5-diethyl-2-methylsulfanyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,5-diethyl-2-methylsulfanyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCNc1nc(SC)nc(NCC(F)(F)F)c1CC.
What is the InChIKey of 6-N,5-diethyl-2-methylsulfanyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is DGNCPYVZRRFMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4S/c1-4-7-8(15-5-2)17-10(19-3)18-9(7)16-6-11(12,13)14/h4-6H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 6-N,5-diethyl-2-methylsulfanyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
6-N,5-diethyl-2-methylsulfanyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 294.35 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,5-diethyl-2-methylsulfanyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 68950792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).