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

C13H14F3N5 — CID 80791340

IUPAC6-N-methyl-4-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine
SMILESCNc1cc(Nc2ccc(C)c(C(F)(F)F)c2)nc(N)n1
InChIInChI=1S/C13H14F3N5/c1-7-3-4-8(5-9(7)13(14,15)16)19-11-6-10(18-2)20-12(17)21-11/h3-6H,1-2H3,(H4,17,18,19,20,21)
InChIKeyQVKRHQUQUCCDFU-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.17
Rot. Bonds3

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

6-N-methyl-4-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine (PubChem CID 80791340) has the molecular formula C13H14F3N5 and a molecular weight of 297.28 g/mol. Its IUPAC name is 6-N-methyl-4-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-methyl-4-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine
PubChem CID80791340
Molecular FormulaC13H14F3N5
Molecular Weight297.28 g/mol
Exact Mass297.12
IUPAC Name6-N-methyl-4-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine
SMILESCNc1cc(Nc2ccc(C)c(C(F)(F)F)c2)nc(N)n1
InChIInChI=1S/C13H14F3N5/c1-7-3-4-8(5-9(7)13(14,15)16)19-11-6-10(18-2)20-12(17)21-11/h3-6H,1-2H3,(H4,17,18,19,20,21)
InChIKeyQVKRHQUQUCCDFU-UHFFFAOYSA-N
XLogP3.17
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-methyl-6-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-2,6-diamine
CID 80812662
4-N-[4-bromo-3-(trifluoromethyl)phenyl]-6-hydrazinylpyrimidine-2,4-diamine
CID 80909095
4-[(2-amino-6-methylpyrimidin-4-yl)amino]-2-(trifluoromethyl)benzonitrile
CID 80829212
6-chloro-4-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 80735300
6-hydrazinyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 80903825
6-N-methyl-4-N-(4-propan-2-ylphenyl)pyrimidine-2,4,6-triamine
CID 80769134
6-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 63588805
6-chloro-4-N-methyl-2-N-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80791134
4-N-(4-bromo-3-methylphenyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114563598
4-N-(3-fluoro-4-methylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112726031
4-N-(5-chloro-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80755709
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80762848

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-methyl-4-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine (CID 80791340) is 6-N-methyl-4-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-methyl-4-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-methyl-4-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine is CNc1cc(Nc2ccc(C)c(C(F)(F)F)c2)nc(N)n1.
What is the InChIKey of 6-N-methyl-4-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine?
The InChIKey is QVKRHQUQUCCDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5/c1-7-3-4-8(5-9(7)13(14,15)16)19-11-6-10(18-2)20-12(17)21-11/h3-6H,1-2H3,(H4,17,18,19,20,21).
What are the key properties of 6-N-methyl-4-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine?
6-N-methyl-4-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine has a molecular weight of 297.28 g/mol, XLogP of 3.17, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80791340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).