4-N-benzhydryl-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine

C23H19F2N5 — CID 19150226

IUPAC4-N-benzhydryl-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccc(F)cc2F)ncnc1NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19F2N5/c24-17-11-12-19(18(25)13-17)29-22-20(26)23(28-14-27-22)30-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,21H,26H2,(H2,27,28,29,30)
InChIKeyHYDXIRWZBQPUBD-UHFFFAOYSA-N
MW403.44 g/mol
LogP5.28
Rot. Bonds6

About 4-N-benzhydryl-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine

4-N-benzhydryl-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine (PubChem CID 19150226) has the molecular formula C23H19F2N5 and a molecular weight of 403.44 g/mol. Its IUPAC name is 4-N-benzhydryl-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-benzhydryl-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
PubChem CID19150226
Molecular FormulaC23H19F2N5
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name4-N-benzhydryl-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccc(F)cc2F)ncnc1NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19F2N5/c24-17-11-12-19(18(25)13-17)29-22-20(26)23(28-14-27-22)30-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,21H,26H2,(H2,27,28,29,30)
InChIKeyHYDXIRWZBQPUBD-UHFFFAOYSA-N
XLogP5.28
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.44
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(2,5-difluorophenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19145768
4-N-benzhydryl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545630
N-benzhydryl-2,4-difluoroaniline
CID 82096621
4-N-(4-bromo-2-fluorophenyl)-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19152924
6-N-(2,4-difluorophenyl)-4-N-methyl-4-N-phenylpyrimidine-4,5,6-triamine
CID 19144545
6-N-(3-chloro-2-methylphenyl)-4-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 22545479
4-N-benzhydryl-6-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22541010
4-N-(2,4-difluorophenyl)-6-propan-2-yloxypyrimidine-4,5-diamine
CID 19152519
4-N-(2,4-difluorophenyl)-6-N-[(4-fluorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 19153814
4-N-benzhydryl-6-N-(4-iodophenyl)pyrimidine-4,5,6-triamine
CID 19148896
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19153374
4-N-(2,4-difluorophenyl)-6-N-[3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19148529

Frequently Asked Questions

What is the IUPAC name of 4-N-benzhydryl-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-benzhydryl-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine (CID 19150226) is 4-N-benzhydryl-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-benzhydryl-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-benzhydryl-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine is Nc1c(Nc2ccc(F)cc2F)ncnc1NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-N-benzhydryl-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine?
The InChIKey is HYDXIRWZBQPUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5/c24-17-11-12-19(18(25)13-17)29-22-20(26)23(28-14-27-22)30-21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,21H,26H2,(H2,27,28,29,30).
What are the key properties of 4-N-benzhydryl-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine?
4-N-benzhydryl-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine has a molecular weight of 403.44 g/mol, XLogP of 5.28, 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-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19150226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).