4-N-benzhydryl-6-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine

C25H25N5 — CID 22541010

IUPAC4-N-benzhydryl-6-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1cc(C)cc(Nc2ncnc(NC(c3ccccc3)c3ccccc3)c2N)c1
InChIInChI=1S/C25H25N5/c1-17-13-18(2)15-21(14-17)29-24-22(26)25(28-16-27-24)30-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,23H,26H2,1-2H3,(H2,27,28,29,30)
InChIKeyJQKSBBRGCXGOLD-UHFFFAOYSA-N
MW395.51 g/mol
LogP5.62
Rot. Bonds6

About 4-N-benzhydryl-6-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine

4-N-benzhydryl-6-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine (PubChem CID 22541010) has the molecular formula C25H25N5 and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-N-benzhydryl-6-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-benzhydryl-6-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine
PubChem CID22541010
Molecular FormulaC25H25N5
Molecular Weight395.51 g/mol
Exact Mass395.21
IUPAC Name4-N-benzhydryl-6-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1cc(C)cc(Nc2ncnc(NC(c3ccccc3)c3ccccc3)c2N)c1
InChIInChI=1S/C25H25N5/c1-17-13-18(2)15-21(14-17)29-24-22(26)25(28-16-27-24)30-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,23H,26H2,1-2H3,(H2,27,28,29,30)
InChIKeyJQKSBBRGCXGOLD-UHFFFAOYSA-N
XLogP5.62
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-benzhydryl-6-N-(4-iodophenyl)pyrimidine-4,5,6-triamine
CID 19148896
4-N-benzhydryl-6-N-(1,3-benzodioxol-5-yl)pyrimidine-4,5,6-triamine
CID 22542150
4-N-benzhydryl-6-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19150075
4-N-(3,5-dimethylphenyl)-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 22540987
4-N-benzhydryl-6-N-(2,4-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19150226
4-N-(3,5-dimethylphenyl)-6-N-methylpyrimidine-4,5,6-triamine
CID 22540905
4-N-benzhydryl-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545630
6-N-(4-chlorophenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22540995
6-N-(3,5-dimethylphenyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22540962
4-N-(3,5-dimethylphenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 22540968
4-N-(3,5-dimethylphenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22541066
N'-[5-amino-6-(3,5-dimethylanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 22541037

Frequently Asked Questions

What is the IUPAC name of 4-N-benzhydryl-6-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-benzhydryl-6-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine (CID 22541010) is 4-N-benzhydryl-6-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-benzhydryl-6-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-benzhydryl-6-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine is Cc1cc(C)cc(Nc2ncnc(NC(c3ccccc3)c3ccccc3)c2N)c1.
What is the InChIKey of 4-N-benzhydryl-6-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is JQKSBBRGCXGOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5/c1-17-13-18(2)15-21(14-17)29-24-22(26)25(28-16-27-24)30-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,23H,26H2,1-2H3,(H2,27,28,29,30).
What are the key properties of 4-N-benzhydryl-6-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine?
4-N-benzhydryl-6-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 395.51 g/mol, XLogP of 5.62, 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-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22541010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).