2-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C17H13F3N4 — CID 70702134

IUPAC2-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESFC(F)(F)c1ccccc1Nc1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C17H13F3N4/c18-17(19,20)13-8-4-5-9-14(13)23-15-10-11-21-16(24-15)22-12-6-2-1-3-7-12/h1-11H,(H2,21,22,23,24)
InChIKeyVAMRQWVJTWEEHG-UHFFFAOYSA-N
MW330.31 g/mol
LogP4.98
Rot. Bonds4

About 2-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

2-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 70702134) has the molecular formula C17H13F3N4 and a molecular weight of 330.31 g/mol. Its IUPAC name is 2-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID70702134
Molecular FormulaC17H13F3N4
Molecular Weight330.31 g/mol
Exact Mass330.11
IUPAC Name2-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESFC(F)(F)c1ccccc1Nc1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C17H13F3N4/c18-17(19,20)13-8-4-5-9-14(13)23-15-10-11-21-16(24-15)22-12-6-2-1-3-7-12/h1-11H,(H2,21,22,23,24)
InChIKeyVAMRQWVJTWEEHG-UHFFFAOYSA-N
XLogP4.98
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 70702134) is 2-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is FC(F)(F)c1ccccc1Nc1ccnc(Nc2ccccc2)n1.
What is the InChIKey of 2-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is VAMRQWVJTWEEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4/c18-17(19,20)13-8-4-5-9-14(13)23-15-10-11-21-16(24-15)22-12-6-2-1-3-7-12/h1-11H,(H2,21,22,23,24).
What are the key properties of 2-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
2-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 330.31 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 70702134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).