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

C9H13F3N4 — CID 80786474

IUPAC5-ethyl-6-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1NCC(F)(F)F
InChIInChI=1S/C9H13F3N4/c1-3-6-7(13-2)15-5-16-8(6)14-4-9(10,11)12/h5H,3-4H2,1-2H3,(H2,13,14,15,16)
InChIKeyPYIVYZDGSKIDDE-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.05
Rot. Bonds4

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

5-ethyl-6-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80786474) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 5-ethyl-6-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-6-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80786474
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name5-ethyl-6-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCc1c(NC)ncnc1NCC(F)(F)F
InChIInChI=1S/C9H13F3N4/c1-3-6-7(13-2)15-5-16-8(6)14-4-9(10,11)12/h5H,3-4H2,1-2H3,(H2,13,14,15,16)
InChIKeyPYIVYZDGSKIDDE-UHFFFAOYSA-N
XLogP2.05
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-6-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80786474) is 5-ethyl-6-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-6-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-6-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCc1c(NC)ncnc1NCC(F)(F)F.
What is the InChIKey of 5-ethyl-6-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is PYIVYZDGSKIDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c1-3-6-7(13-2)15-5-16-8(6)14-4-9(10,11)12/h5H,3-4H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-ethyl-6-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
5-ethyl-6-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 234.22 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-N-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80786474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).