6-N-ethyl-4-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

C10H15F3N4 — CID 80791141

IUPAC6-N-ethyl-4-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(N(C)CC(F)(F)F)c1C
InChIInChI=1S/C10H15F3N4/c1-4-14-8-7(2)9(16-6-15-8)17(3)5-10(11,12)13/h6H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyZORHYGAEHJHYBF-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.22
Rot. Bonds4

About 6-N-ethyl-4-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine

6-N-ethyl-4-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80791141) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 6-N-ethyl-4-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80791141
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name6-N-ethyl-4-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(N(C)CC(F)(F)F)c1C
InChIInChI=1S/C10H15F3N4/c1-4-14-8-7(2)9(16-6-15-8)17(3)5-10(11,12)13/h6H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyZORHYGAEHJHYBF-UHFFFAOYSA-N
XLogP2.22
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80791141) is 6-N-ethyl-4-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCNc1ncnc(N(C)CC(F)(F)F)c1C.
What is the InChIKey of 6-N-ethyl-4-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is ZORHYGAEHJHYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c1-4-14-8-7(2)9(16-6-15-8)17(3)5-10(11,12)13/h6H,4-5H2,1-3H3,(H,14,15,16).
What are the key properties of 6-N-ethyl-4-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
6-N-ethyl-4-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 248.25 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80791141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).