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

C14H15F3N4 — CID 114563542

IUPAC4-N-ethyl-4-N-(2-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCN(c1cc(C(F)(F)F)nc(N)n1)c1ccccc1C
InChIInChI=1S/C14H15F3N4/c1-3-21(10-7-5-4-6-9(10)2)12-8-11(14(15,16)17)19-13(18)20-12/h4-8H,3H2,1-2H3,(H2,18,19,20)
InChIKeyXVSDTGHZGOMRAS-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.54
Rot. Bonds3

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

4-N-ethyl-4-N-(2-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 114563542) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(2-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(2-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID114563542
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name4-N-ethyl-4-N-(2-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCCN(c1cc(C(F)(F)F)nc(N)n1)c1ccccc1C
InChIInChI=1S/C14H15F3N4/c1-3-21(10-7-5-4-6-9(10)2)12-8-11(14(15,16)17)19-13(18)20-12/h4-8H,3H2,1-2H3,(H2,18,19,20)
InChIKeyXVSDTGHZGOMRAS-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-methoxyphenyl)-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564803
4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564622
6-chloro-N-ethyl-N-(2-methylphenyl)-2-propylpyrimidin-4-amine
CID 80940880
4-N-(cyclobutylmethyl)-4-N-ethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 107403126
4-N,3-diethyl-1-methyl-4-N-(2-methylphenyl)pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 68776500
4-N-[(3-chlorophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564313
4-N-[(4-chlorophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564315
1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropan-2-ol
CID 114565428
6-(N-ethyl-2-methylanilino)pyridine-2-carbonitrile
CID 64587866
2-chloro-1-N-ethyl-1-N-(2-methylphenyl)benzene-1,4-diamine
CID 29039749
N-ethyl-5-fluoro-2-hydrazinyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 80916335
3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]-2-methylpropanenitrile
CID 114564590

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(2-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-(2-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 114563542) is 4-N-ethyl-4-N-(2-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(2-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(2-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is CCN(c1cc(C(F)(F)F)nc(N)n1)c1ccccc1C.
What is the InChIKey of 4-N-ethyl-4-N-(2-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is XVSDTGHZGOMRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c1-3-21(10-7-5-4-6-9(10)2)12-8-11(14(15,16)17)19-13(18)20-12/h4-8H,3H2,1-2H3,(H2,18,19,20).
What are the key properties of 4-N-ethyl-4-N-(2-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine?
4-N-ethyl-4-N-(2-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-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-(2-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 114563542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).