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

C12H11F3N4O — CID 80769352

IUPAC2-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
SMILESCNc1nccc(Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C12H11F3N4O/c1-16-11-17-7-6-10(19-11)18-8-2-4-9(5-3-8)20-12(13,14)15/h2-7H,1H3,(H2,16,17,18,19)
InChIKeyZEFLSDPOPKDGNE-UHFFFAOYSA-N
MW284.24 g/mol
LogP3.16
Rot. Bonds4

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

2-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine (PubChem CID 80769352) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is 2-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
PubChem CID80769352
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name2-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
SMILESCNc1nccc(Nc2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C12H11F3N4O/c1-16-11-17-7-6-10(19-11)18-8-2-4-9(5-3-8)20-12(13,14)15/h2-7H,1H3,(H2,16,17,18,19)
InChIKeyZEFLSDPOPKDGNE-UHFFFAOYSA-N
XLogP3.16
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine (CID 80769352) is 2-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine is CNc1nccc(Nc2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 2-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine?
The InChIKey is ZEFLSDPOPKDGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c1-16-11-17-7-6-10(19-11)18-8-2-4-9(5-3-8)20-12(13,14)15/h2-7H,1H3,(H2,16,17,18,19).
What are the key properties of 2-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine?
2-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine has a molecular weight of 284.24 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80769352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).