4-N-ethyl-4-N-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

C14H15F3N4 — CID 106771651

IUPAC4-N-ethyl-4-N-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCN(c1ccc(C)cc1)c1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C14H15F3N4/c1-3-21(10-6-4-9(2)5-7-10)12-8-11(18)19-13(20-12)14(15,16)17/h4-8H,3H2,1-2H3,(H2,18,19,20)
InChIKeyUAHHYYCOFQJYNG-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.54
Rot. Bonds3

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

4-N-ethyl-4-N-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106771651) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106771651
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name4-N-ethyl-4-N-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCCN(c1ccc(C)cc1)c1cc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C14H15F3N4/c1-3-21(10-6-4-9(2)5-7-10)12-8-11(18)19-13(20-12)14(15,16)17/h4-8H,3H2,1-2H3,(H2,18,19,20)
InChIKeyUAHHYYCOFQJYNG-UHFFFAOYSA-N
XLogP3.54
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,2-diethyl-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 80934889
2-tert-butyl-4-N-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 80961089
4-N-ethyl-4-N-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770656
4-N,4-N-bis(2-methylpropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771018
4-N-methyl-4-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770641
4-N-ethyl-4-N-(4-fluorophenyl)-2-propylpyrimidine-4,6-diamine
CID 80954692
4-N-butyl-4-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769909
4-N-ethyl-4-N-(4-fluorophenyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80958034
4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773395
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile
CID 106769899
2-[(2-amino-2-oxoethyl)-[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]acetamide
CID 106771829
2-cyclopropyl-4-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 80958111

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-ethyl-4-N-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106771651) is 4-N-ethyl-4-N-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is CCN(c1ccc(C)cc1)c1cc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-ethyl-4-N-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is UAHHYYCOFQJYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c1-3-21(10-6-4-9(2)5-7-10)12-8-11(18)19-13(20-12)14(15,16)17/h4-8H,3H2,1-2H3,(H2,18,19,20).
What are the key properties of 4-N-ethyl-4-N-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-ethyl-4-N-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 296.30 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(4-methylphenyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106771651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).