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

C9H13F3N4 — CID 80814653

IUPAC4-N-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCN(CC(F)(F)F)c1ncnc(N)c1C
InChIInChI=1S/C9H13F3N4/c1-3-16(4-9(10,11)12)8-6(2)7(13)14-5-15-8/h5H,3-4H2,1-2H3,(H2,13,14,15)
InChIKeyJUQNXLUSKZZOHD-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.76
Rot. Bonds3

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

4-N-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80814653) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 4-N-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80814653
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name4-N-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCN(CC(F)(F)F)c1ncnc(N)c1C
InChIInChI=1S/C9H13F3N4/c1-3-16(4-9(10,11)12)8-6(2)7(13)14-5-15-8/h5H,3-4H2,1-2H3,(H2,13,14,15)
InChIKeyJUQNXLUSKZZOHD-UHFFFAOYSA-N
XLogP1.76
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80814653) is 4-N-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCN(CC(F)(F)F)c1ncnc(N)c1C.
What is the InChIKey of 4-N-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is JUQNXLUSKZZOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c1-3-16(4-9(10,11)12)8-6(2)7(13)14-5-15-8/h5H,3-4H2,1-2H3,(H2,13,14,15).
What are the key properties of 4-N-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
4-N-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 234.22 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80814653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).