2-N,4-N-dimethyl-2-N,4-N-diphenyl-6-(trifluoromethyl)pyrimidine-2,4-diamine

C19H17F3N4 — CID 13353530

IUPAC2-N,4-N-dimethyl-2-N,4-N-diphenyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCN(c1ccccc1)c1cc(C(F)(F)F)nc(N(C)c2ccccc2)n1
InChIInChI=1S/C19H17F3N4/c1-25(14-9-5-3-6-10-14)17-13-16(19(20,21)22)23-18(24-17)26(2)15-11-7-4-8-12-15/h3-13H,1-2H3
InChIKeyLKRVGFZGLFXKDR-UHFFFAOYSA-N
MW358.37 g/mol
LogP5.03
Rot. Bonds4

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

2-N,4-N-dimethyl-2-N,4-N-diphenyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (PubChem CID 13353530) has the molecular formula C19H17F3N4 and a molecular weight of 358.37 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-2-N,4-N-diphenyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-2-N,4-N-diphenyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
PubChem CID13353530
Molecular FormulaC19H17F3N4
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name2-N,4-N-dimethyl-2-N,4-N-diphenyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
SMILESCN(c1ccccc1)c1cc(C(F)(F)F)nc(N(C)c2ccccc2)n1
InChIInChI=1S/C19H17F3N4/c1-25(14-9-5-3-6-10-14)17-13-16(19(20,21)22)23-18(24-17)26(2)15-11-7-4-8-12-15/h3-13H,1-2H3
InChIKeyLKRVGFZGLFXKDR-UHFFFAOYSA-N
XLogP5.03
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.37
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dichloro-N-methyl-N-phenylpyrimidin-2-amine
CID 71303239
N-(4-fluorophenyl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567157
2-N,4-N,6-trimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 19754221
4-N-(2-methoxyphenyl)-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564803
4-N,4-N-diethyl-2-N-methyl-2-N,6-diphenylpyrimidine-2,4-diamine
CID 112937657
2-N,4-N,4-N-trimethyl-2-N-[(2S)-3-methylbutan-2-yl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 97316666
1-[[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-methylamino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 60567589
N-methyl-N-phenyl-4-phenylsulfanyl-5-(trifluoromethyl)pyrimidin-2-amine
CID 122206371
2-[methyl-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]acetic acid
CID 91926266
ethane;bis(N-methyl-N-phenylaniline)
CID 160716887
2-N-benzyl-2-N,4-N-dimethyl-4-N-phenylpyrimidine-2,4-diamine
CID 112891014
5-N,5-N-diethyl-3-N-methyl-3-N-phenyl-1,2,4-triazine-3,5-diamine
CID 112958205

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-2-N,4-N-diphenyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-2-N,4-N-diphenyl-6-(trifluoromethyl)pyrimidine-2,4-diamine (CID 13353530) is 2-N,4-N-dimethyl-2-N,4-N-diphenyl-6-(trifluoromethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-2-N,4-N-diphenyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-2-N,4-N-diphenyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is CN(c1ccccc1)c1cc(C(F)(F)F)nc(N(C)c2ccccc2)n1.
What is the InChIKey of 2-N,4-N-dimethyl-2-N,4-N-diphenyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
The InChIKey is LKRVGFZGLFXKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4/c1-25(14-9-5-3-6-10-14)17-13-16(19(20,21)22)23-18(24-17)26(2)15-11-7-4-8-12-15/h3-13H,1-2H3.
What are the key properties of 2-N,4-N-dimethyl-2-N,4-N-diphenyl-6-(trifluoromethyl)pyrimidine-2,4-diamine?
2-N,4-N-dimethyl-2-N,4-N-diphenyl-6-(trifluoromethyl)pyrimidine-2,4-diamine has a molecular weight of 358.37 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-2-N,4-N-diphenyl-6-(trifluoromethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 13353530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).