6-N,2-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine

C13H13F3N4O — CID 80729894

IUPAC6-N,2-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
SMILESCNc1cc(Nc2cccc(OC(F)(F)F)c2)nc(C)n1
InChIInChI=1S/C13H13F3N4O/c1-8-18-11(17-2)7-12(19-8)20-9-4-3-5-10(6-9)21-13(14,15)16/h3-7H,1-2H3,(H2,17,18,19,20)
InChIKeyWIYWFUPQKCXREQ-UHFFFAOYSA-N
MW298.27 g/mol
LogP3.47
Rot. Bonds4

About 6-N,2-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine

6-N,2-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine (PubChem CID 80729894) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is 6-N,2-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,2-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
PubChem CID80729894
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name6-N,2-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
SMILESCNc1cc(Nc2cccc(OC(F)(F)F)c2)nc(C)n1
InChIInChI=1S/C13H13F3N4O/c1-8-18-11(17-2)7-12(19-8)20-9-4-3-5-10(6-9)21-13(14,15)16/h3-7H,1-2H3,(H2,17,18,19,20)
InChIKeyWIYWFUPQKCXREQ-UHFFFAOYSA-N
XLogP3.47
TPSA59.07 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 ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-N,2-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(3-methoxyphenyl)-2-methyl-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112878340
6-N-(3-methoxyphenyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717128
4-N-(3-fluorophenyl)-6-N-(3-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878355
2-N,5-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 80728582
1-N,2-N-bis[3-(trifluoromethoxy)phenyl]benzene-1,2-diamine
CID 19351987
6-chloro-N-[3-(trifluoromethoxy)phenyl]pyridazin-3-amine
CID 43151729
5-bromo-2-N-methyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 80728679
4-N-(3,4-difluorophenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80762879
2-methyl-4-N-[3-(trifluoromethoxy)phenyl]benzene-1,4-diamine
CID 43436320
6-N-(4-bromophenyl)-4-N-(3-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112878248
3-bromo-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 105367581
2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4,6-triamine
CID 57399457

Frequently Asked Questions

What is the IUPAC name of 6-N,2-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N,2-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine (CID 80729894) is 6-N,2-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,2-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,2-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine is CNc1cc(Nc2cccc(OC(F)(F)F)c2)nc(C)n1.
What is the InChIKey of 6-N,2-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine?
The InChIKey is WIYWFUPQKCXREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-8-18-11(17-2)7-12(19-8)20-9-4-3-5-10(6-9)21-13(14,15)16/h3-7H,1-2H3,(H2,17,18,19,20).
What are the key properties of 6-N,2-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine?
6-N,2-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine has a molecular weight of 298.27 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,2-dimethyl-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 80729894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).