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

C13H13F3N4 — CID 11522007

IUPAC6-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCc1cc(NCc2cccc(C(F)(F)F)c2)nc(N)n1
InChIInChI=1S/C13H13F3N4/c1-8-5-11(20-12(17)19-8)18-7-9-3-2-4-10(6-9)13(14,15)16/h2-6H,7H2,1H3,(H3,17,18,19,20)
InChIKeyCTGXNXMHRQUXCX-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.00
Rot. Bonds3

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

6-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine (PubChem CID 11522007) has the molecular formula C13H13F3N4 and a molecular weight of 282.27 g/mol. Its IUPAC name is 6-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
PubChem CID11522007
Molecular FormulaC13H13F3N4
Molecular Weight282.27 g/mol
Exact Mass282.11
IUPAC Name6-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCc1cc(NCc2cccc(C(F)(F)F)c2)nc(N)n1
InChIInChI=1S/C13H13F3N4/c1-8-5-11(20-12(17)19-8)18-7-9-3-2-4-10(6-9)13(14,15)16/h2-6H,7H2,1H3,(H3,17,18,19,20)
InChIKeyCTGXNXMHRQUXCX-UHFFFAOYSA-N
XLogP3.00
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.00
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]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine (CID 11522007) is 6-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine is Cc1cc(NCc2cccc(C(F)(F)F)c2)nc(N)n1.
What is the InChIKey of 6-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is CTGXNXMHRQUXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4/c1-8-5-11(20-12(17)19-8)18-7-9-3-2-4-10(6-9)13(14,15)16/h2-6H,7H2,1H3,(H3,17,18,19,20).
What are the key properties of 6-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
6-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 282.27 g/mol, XLogP of 3.00, 3 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]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 11522007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).