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

C12H11F3N4 — CID 80762862

IUPAC5-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1Nc1ccccc1C(F)(F)F
InChIInChI=1S/C12H11F3N4/c1-7-6-17-11(16)19-10(7)18-9-5-3-2-4-8(9)12(13,14)15/h2-6H,1H3,(H3,16,17,18,19)
InChIKeyHEURPANJARHEJH-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.13
Rot. Bonds2

About 5-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

5-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 80762862) has the molecular formula C12H11F3N4 and a molecular weight of 268.24 g/mol. Its IUPAC name is 5-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID80762862
Molecular FormulaC12H11F3N4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name5-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCc1cnc(N)nc1Nc1ccccc1C(F)(F)F
InChIInChI=1S/C12H11F3N4/c1-7-6-17-11(16)19-10(7)18-9-5-3-2-4-8(9)12(13,14)15/h2-6H,1H3,(H3,16,17,18,19)
InChIKeyHEURPANJARHEJH-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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Related Compounds

4-N-[4-bromo-3-(trifluoromethyl)phenyl]-5-methylpyrimidine-2,4-diamine
CID 80840874
4-N-(2-fluoro-5-methylphenyl)-5-methylpyrimidine-2,4-diamine
CID 80755372
4-N-isoquinolin-5-yl-5-methylpyrimidine-2,4-diamine
CID 80789594
4-N-(6-methyl-2-pyridinyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22542257
4-N-[4-bromo-2-(trifluoromethoxy)phenyl]-5-methylpyrimidine-2,4-diamine
CID 103193719
6-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545606
2,5-dichloro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79632372
4-N-(3-chloro-2-methylphenyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545302
6-chloro-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 23477466
4-N-(2-tert-butylphenyl)-2-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 80822747
5-bromo-4-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 80825700
6,7-dimethyl-N-[2-(trifluoromethyl)phenyl]quinazolin-4-amine;dihydrate
CID 159074222

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 80762862) is 5-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is Cc1cnc(N)nc1Nc1ccccc1C(F)(F)F.
What is the InChIKey of 5-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is HEURPANJARHEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4/c1-7-6-17-11(16)19-10(7)18-9-5-3-2-4-8(9)12(13,14)15/h2-6H,1H3,(H3,16,17,18,19).
What are the key properties of 5-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
5-methyl-4-N-[2-(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 5-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80762862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).