6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C12H11F3N4 — CID 2766306

IUPAC6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2cccc(C(F)(F)F)c2)nc(N)n1
InChIInChI=1S/C12H11F3N4/c1-7-5-10(19-11(16)17-7)18-9-4-2-3-8(6-9)12(13,14)15/h2-6H,1H3,(H3,16,17,18,19)
InChIKeyDGXDYHNLZIVGFO-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.13
Rot. Bonds2

About 6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 2766306) has the molecular formula C12H11F3N4 and a molecular weight of 268.24 g/mol. Its IUPAC name is 6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID2766306
Molecular FormulaC12H11F3N4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCc1cc(Nc2cccc(C(F)(F)F)c2)nc(N)n1
InChIInChI=1S/C12H11F3N4/c1-7-5-10(19-11(16)17-7)18-9-4-2-3-8(6-9)12(13,14)15/h2-6H,1H3,(H3,16,17,18,19)
InChIKeyDGXDYHNLZIVGFO-UHFFFAOYSA-N
XLogP3.13
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 2766306) is 6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is Cc1cc(Nc2cccc(C(F)(F)F)c2)nc(N)n1.
What is the InChIKey of 6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is DGXDYHNLZIVGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4/c1-7-5-10(19-11(16)17-7)18-9-4-2-3-8(6-9)12(13,14)15/h2-6H,1H3,(H3,16,17,18,19).
What are the key properties of 6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 268.24 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 2766306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).