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

C24H20F3N5 — CID 22545630

IUPAC4-N-benzhydryl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccccc2C(F)(F)F)ncnc1NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20F3N5/c25-24(26,27)18-13-7-8-14-19(18)31-22-20(28)23(30-15-29-22)32-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,21H,28H2,(H2,29,30,31,32)
InChIKeyWDHHOIBCJALLPK-UHFFFAOYSA-N
MW435.45 g/mol
LogP6.02
Rot. Bonds6

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

4-N-benzhydryl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine (PubChem CID 22545630) has the molecular formula C24H20F3N5 and a molecular weight of 435.45 g/mol. Its IUPAC name is 4-N-benzhydryl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-benzhydryl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
PubChem CID22545630
Molecular FormulaC24H20F3N5
Molecular Weight435.45 g/mol
Exact Mass435.17
IUPAC Name4-N-benzhydryl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccccc2C(F)(F)F)ncnc1NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20F3N5/c25-24(26,27)18-13-7-8-14-19(18)31-22-20(28)23(30-15-29-22)32-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,21H,28H2,(H2,29,30,31,32)
InChIKeyWDHHOIBCJALLPK-UHFFFAOYSA-N
XLogP6.02
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.45
LogP ≤ 56.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-phenyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545606
6-chloro-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 23477466
4-N-(3-chloro-2-methylphenyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545302
4-N-benzhydryl-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19150226
4-N-(2-ethoxyphenyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545702
4-N-(6-methyl-2-pyridinyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22542257
6-N-(4-ethylphenyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22544237
4-N-benzhydryl-6-N-(4-iodophenyl)pyrimidine-4,5,6-triamine
CID 19148896
4-N-benzhydryl-6-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22541010
N-benzhydryl-3-(trifluoromethyl)pyridin-2-amine
CID 71528051
6-(4-chlorophenyl)sulfanyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5-diamine
CID 22545533
6-N-(1,3-benzodioxol-5-yl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22542032

Frequently Asked Questions

What is the IUPAC name of 4-N-benzhydryl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-benzhydryl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine (CID 22545630) is 4-N-benzhydryl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-benzhydryl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-benzhydryl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine is Nc1c(Nc2ccccc2C(F)(F)F)ncnc1NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-N-benzhydryl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
The InChIKey is WDHHOIBCJALLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5/c25-24(26,27)18-13-7-8-14-19(18)31-22-20(28)23(30-15-29-22)32-21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,21H,28H2,(H2,29,30,31,32).
What are the key properties of 4-N-benzhydryl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine?
4-N-benzhydryl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine has a molecular weight of 435.45 g/mol, XLogP of 6.02, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzhydryl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22545630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).