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

C13H13F3N4O — CID 80768669

IUPAC2-N,6-dimethyl-4-N-[2-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(Nc2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C13H13F3N4O/c1-8-7-11(20-12(17-2)18-8)19-9-5-3-4-6-10(9)21-13(14,15)16/h3-7H,1-2H3,(H2,17,18,19,20)
InChIKeyAPBZHAIMAHEYBC-UHFFFAOYSA-N
MW298.27 g/mol
LogP3.47
Rot. Bonds4

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

2-N,6-dimethyl-4-N-[2-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine (PubChem CID 80768669) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is 2-N,6-dimethyl-4-N-[2-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-dimethyl-4-N-[2-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
PubChem CID80768669
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name2-N,6-dimethyl-4-N-[2-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(Nc2ccccc2OC(F)(F)F)n1
InChIInChI=1S/C13H13F3N4O/c1-8-7-11(20-12(17-2)18-8)19-9-5-3-4-6-10(9)21-13(14,15)16/h3-7H,1-2H3,(H2,17,18,19,20)
InChIKeyAPBZHAIMAHEYBC-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

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Related Compounds

4-N-(2-iodophenyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80762709
6-chloro-4-N-methyl-2-N-[2-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 80768863
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline
CID 87491554
2-N-(2-ethoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112930829
2-methylsulfanyl-4-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 80768573
6-methyl-4-N-(2-phenoxyphenyl)-2-N-phenylpyrimidine-2,4-diamine
CID 112926974
2-N-tert-butyl-4-N-(2-ethoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112924802
4-N-(2-bromophenyl)-2-N-(2-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112930517
4-N,4-N-dimethyl-6-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 122282065
4-N-(2-methoxyphenyl)-6-methyl-2-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112930468
4-N-(2,4-difluorophenyl)-6-methyl-2-N-(2-propan-2-yloxyphenyl)pyrimidine-2,4-diamine
CID 112931073
4-N-(2-ethoxyphenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907340

Frequently Asked Questions

What is the IUPAC name of 2-N,6-dimethyl-4-N-[2-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,6-dimethyl-4-N-[2-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine (CID 80768669) is 2-N,6-dimethyl-4-N-[2-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,6-dimethyl-4-N-[2-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,6-dimethyl-4-N-[2-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine is CNc1nc(C)cc(Nc2ccccc2OC(F)(F)F)n1.
What is the InChIKey of 2-N,6-dimethyl-4-N-[2-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine?
The InChIKey is APBZHAIMAHEYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-8-7-11(20-12(17-2)18-8)19-9-5-3-4-6-10(9)21-13(14,15)16/h3-7H,1-2H3,(H2,17,18,19,20).
What are the key properties of 2-N,6-dimethyl-4-N-[2-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine?
2-N,6-dimethyl-4-N-[2-(trifluoromethoxy)phenyl]pyrimidine-2,4-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 2-N,6-dimethyl-4-N-[2-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80768669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).