4-N,4-N-dibenzyl-6-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine

C24H24N6 — CID 22545111

IUPAC4-N,4-N-dibenzyl-6-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
SMILESCc1ccnc(Nc2ncnc(N(Cc3ccccc3)Cc3ccccc3)c2N)c1
InChIInChI=1S/C24H24N6/c1-18-12-13-26-21(14-18)29-23-22(25)24(28-17-27-23)30(15-19-8-4-2-5-9-19)16-20-10-6-3-7-11-20/h2-14,17H,15-16,25H2,1H3,(H,26,27,28,29)
InChIKeyHEPMLRAXKPUUPA-UHFFFAOYSA-N
MW396.50 g/mol
LogP4.71
Rot. Bonds7

About 4-N,4-N-dibenzyl-6-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine

4-N,4-N-dibenzyl-6-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine (PubChem CID 22545111) has the molecular formula C24H24N6 and a molecular weight of 396.50 g/mol. Its IUPAC name is 4-N,4-N-dibenzyl-6-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N,4-N-dibenzyl-6-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
PubChem CID22545111
Molecular FormulaC24H24N6
Molecular Weight396.50 g/mol
Exact Mass396.21
IUPAC Name4-N,4-N-dibenzyl-6-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
SMILESCc1ccnc(Nc2ncnc(N(Cc3ccccc3)Cc3ccccc3)c2N)c1
InChIInChI=1S/C24H24N6/c1-18-12-13-26-21(14-18)29-23-22(25)24(28-17-27-23)30(15-19-8-4-2-5-9-19)16-20-10-6-3-7-11-20/h2-14,17H,15-16,25H2,1H3,(H,26,27,28,29)
InChIKeyHEPMLRAXKPUUPA-UHFFFAOYSA-N
XLogP4.71
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N,4-N-dibenzyl-6-N-ethylpyrimidine-4,5,6-triamine
CID 19135166
4-N,4-N-dibenzyl-6-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine
CID 19136416
4-N-(4-methyl-2-pyridinyl)-6-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22545164
4-N,4-N-dibenzyl-6-N-(4-propan-2-ylphenyl)pyrimidine-4,5,6-triamine
CID 22547775
4-N-benzyl-6-N-(2,5-dimethylphenyl)-4-N-methylpyrimidine-4,5,6-triamine
CID 22539498
4-N-benzyl-4-N-methyl-6-N-(5-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22539657
4-N-(4-methyl-2-pyridinyl)-6-N-(4-phenoxyphenyl)pyrimidine-4,5,6-triamine
CID 22545280
4-N-benzyl-4-N-methyl-6-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22539468
4-N,4-N-dibenzyl-6-N-(3-chloro-4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19136455
6-N-(2,3-dichlorophenyl)-4-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22545178
4-N,4-N-dibenzyl-6-N-[4-(2-methoxyethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 141395582
ethyl 2-[[5-amino-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]benzoate
CID 22545282

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dibenzyl-6-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N,4-N-dibenzyl-6-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine (CID 22545111) is 4-N,4-N-dibenzyl-6-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N,4-N-dibenzyl-6-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N,4-N-dibenzyl-6-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine is Cc1ccnc(Nc2ncnc(N(Cc3ccccc3)Cc3ccccc3)c2N)c1.
What is the InChIKey of 4-N,4-N-dibenzyl-6-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
The InChIKey is HEPMLRAXKPUUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6/c1-18-12-13-26-21(14-18)29-23-22(25)24(28-17-27-23)30(15-19-8-4-2-5-9-19)16-20-10-6-3-7-11-20/h2-14,17H,15-16,25H2,1H3,(H,26,27,28,29).
What are the key properties of 4-N,4-N-dibenzyl-6-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine?
4-N,4-N-dibenzyl-6-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine has a molecular weight of 396.50 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dibenzyl-6-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22545111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).