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

C13H13F3N4O — CID 122282065

IUPAC4-N,4-N-dimethyl-6-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
SMILESCN(C)c1cc(Nc2ccccc2OC(F)(F)F)ncn1
InChIInChI=1S/C13H13F3N4O/c1-20(2)12-7-11(17-8-18-12)19-9-5-3-4-6-10(9)21-13(14,15)16/h3-8H,1-2H3,(H,17,18,19)
InChIKeyFADXRJFZIMIDQI-UHFFFAOYSA-N
MW298.27 g/mol
LogP3.18
Rot. Bonds4

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

4-N,4-N-dimethyl-6-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine (PubChem CID 122282065) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-6-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-6-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
PubChem CID122282065
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC Name4-N,4-N-dimethyl-6-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
SMILESCN(C)c1cc(Nc2ccccc2OC(F)(F)F)ncn1
InChIInChI=1S/C13H13F3N4O/c1-20(2)12-7-11(17-8-18-12)19-9-5-3-4-6-10(9)21-13(14,15)16/h3-8H,1-2H3,(H,17,18,19)
InChIKeyFADXRJFZIMIDQI-UHFFFAOYSA-N
XLogP3.18
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-N,4-N-dimethyl-6-N-[2-(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

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-6-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N-dimethyl-6-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine (CID 122282065) is 4-N,4-N-dimethyl-6-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-6-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-6-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine is CN(C)c1cc(Nc2ccccc2OC(F)(F)F)ncn1.
What is the InChIKey of 4-N,4-N-dimethyl-6-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine?
The InChIKey is FADXRJFZIMIDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-20(2)12-7-11(17-8-18-12)19-9-5-3-4-6-10(9)21-13(14,15)16/h3-8H,1-2H3,(H,17,18,19).
What are the key properties of 4-N,4-N-dimethyl-6-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine?
4-N,4-N-dimethyl-6-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine has a molecular weight of 298.27 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-6-N-[2-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 122282065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).