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

C9H13F3N4 — CID 80981531

IUPAC2-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(NCC(F)(F)F)n1
InChIInChI=1S/C9H13F3N4/c1-3-6-15-7(13)5(2)8(16-6)14-4-9(10,11)12/h3-4H2,1-2H3,(H3,13,14,15,16)
InChIKeyLLGLKZXYBFCLRL-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.90
Rot. Bonds3

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

2-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (PubChem CID 80981531) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
PubChem CID80981531
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name2-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
SMILESCCc1nc(N)c(C)c(NCC(F)(F)F)n1
InChIInChI=1S/C9H13F3N4/c1-3-6-15-7(13)5(2)8(16-6)14-4-9(10,11)12/h3-4H2,1-2H3,(H3,13,14,15,16)
InChIKeyLLGLKZXYBFCLRL-UHFFFAOYSA-N
XLogP1.90
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981416
2-ethyl-6-N,5-dimethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80981203
2-ethyl-5-methyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-4,6-diamine
CID 80984168
4-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149768
4-N-butyl-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980996
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]ethanol
CID 80981938
5-methyl-2-propyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine
CID 106296158
4-N-(3,3-dimethylbutan-2-yl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 104830579
4-N-benzyl-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980993
2-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)amino]-N-ethylacetamide
CID 80994073
2-ethyl-5-methyl-4-N-(1,2-oxazol-5-ylmethyl)pyrimidine-4,6-diamine
CID 106424568
4-N-[2-(3,5-difluorophenyl)ethyl]-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985293

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The IUPAC name of 2-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine (CID 80981531) is 2-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is CCc1nc(N)c(C)c(NCC(F)(F)F)n1.
What is the InChIKey of 2-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
The InChIKey is LLGLKZXYBFCLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c1-3-6-15-7(13)5(2)8(16-6)14-4-9(10,11)12/h3-4H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 2-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine?
2-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine has a molecular weight of 234.22 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80981531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).