4-N-(2-ethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

C13H13F3N4O — CID 114563643

IUPAC4-N-(2-ethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCOc1ccccc1Nc1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C13H13F3N4O/c1-2-21-9-6-4-3-5-8(9)18-11-7-10(13(14,15)16)19-12(17)20-11/h3-7H,2H2,1H3,(H3,17,18,19,20)
InChIKeyHWJIWOXXPYATSU-UHFFFAOYSA-N
MW298.27 g/mol
LogP3.22
Rot. Bonds4

About 4-N-(2-ethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine

4-N-(2-ethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114563643) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is 4-N-(2-ethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114563643
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name4-N-(2-ethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCOc1ccccc1Nc1cc(C(F)(F)F)nc(N)n1
InChIInChI=1S/C13H13F3N4O/c1-2-21-9-6-4-3-5-8(9)18-11-7-10(13(14,15)16)19-12(17)20-11/h3-7H,2H2,1H3,(H3,17,18,19,20)
InChIKeyHWJIWOXXPYATSU-UHFFFAOYSA-N
XLogP3.22
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-ethoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80926816
4-N-(2-ethoxyphenyl)quinazoline-2,4-diamine
CID 80738238
2-N-(2-ethoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112930829
6-ethoxy-2-N-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80763478
2-N-(2-ethoxyphenyl)-6-methoxypyridine-2,5-diamine
CID 43261354
6-(difluoromethyl)-N-(2-ethoxyphenyl)-2-methylpyrimidin-4-amine
CID 154882785
4-N-(2-ethoxyphenyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545702
ethanol;4-ethoxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 67833415
4-N-(2-ethoxyphenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80939464
2-cyclopropyl-N-(2-ethoxyphenyl)-6-hydrazinylpyrimidin-4-amine
CID 80969313
2-N-tert-butyl-4-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112924802
4-N-(2,6-difluorophenyl)-6-N-(2-ethoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878475

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-ethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114563643) is 4-N-(2-ethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-ethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-ethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is CCOc1ccccc1Nc1cc(C(F)(F)F)nc(N)n1.
What is the InChIKey of 4-N-(2-ethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is HWJIWOXXPYATSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-2-21-9-6-4-3-5-8(9)18-11-7-10(13(14,15)16)19-12(17)20-11/h3-7H,2H2,1H3,(H3,17,18,19,20).
What are the key properties of 4-N-(2-ethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-(2-ethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 298.27 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114563643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).