6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4,5-triamine

C12H12F3N5 — CID 90898420

IUPAC6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4,5-triamine
SMILESNc1nc(N)c(N)c(Cc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C12H12F3N5/c13-12(14,15)7-3-1-6(2-4-7)5-8-9(16)10(17)20-11(18)19-8/h1-4H,5,16H2,(H4,17,18,19,20)
InChIKeySQPCEZHAVIXHQR-UHFFFAOYSA-N
MW283.26 g/mol
LogP1.83
Rot. Bonds2

About 6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4,5-triamine

6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4,5-triamine (PubChem CID 90898420) has the molecular formula C12H12F3N5 and a molecular weight of 283.26 g/mol. Its IUPAC name is 6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4,5-triamine.

Molecular Properties

Compound Name6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4,5-triamine
PubChem CID90898420
Molecular FormulaC12H12F3N5
Molecular Weight283.26 g/mol
Exact Mass283.10
IUPAC Name6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4,5-triamine
SMILESNc1nc(N)c(N)c(Cc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C12H12F3N5/c13-12(14,15)7-3-1-6(2-4-7)5-8-9(16)10(17)20-11(18)19-8/h1-4H,5,16H2,(H4,17,18,19,20)
InChIKeySQPCEZHAVIXHQR-UHFFFAOYSA-N
XLogP1.83
TPSA103.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-propylsulfanyl-6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-4,5-diamine
CID 145185559
6-ethyl-5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 10265764
3-benzyl-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 10568339
6-ethyl-5-[(E)-3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-enyl]pyrimidine-2,4-diamine
CID 134104197
1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 20719271
6-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3,6-triamine
CID 11778514
4-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-4-yl]aniline
CID 163208092
5-amino-2-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonitrile
CID 167619040
3-bromo-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-thiadiazole
CID 102943192
2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazole
CID 90922918
5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 10610924
6-ethyl-5-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 10062289

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4,5-triamine?
The IUPAC name of 6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4,5-triamine (CID 90898420) is 6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4,5-triamine.
What is the SMILES notation for 6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4,5-triamine?
The canonical SMILES for 6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4,5-triamine is Nc1nc(N)c(N)c(Cc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4,5-triamine?
The InChIKey is SQPCEZHAVIXHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N5/c13-12(14,15)7-3-1-6(2-4-7)5-8-9(16)10(17)20-11(18)19-8/h1-4H,5,16H2,(H4,17,18,19,20).
What are the key properties of 6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4,5-triamine?
6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4,5-triamine has a molecular weight of 283.26 g/mol, XLogP of 1.83, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4,5-triamine is sourced from PubChem (CID 90898420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).