2-N-(3,5-difluorophenyl)-4-N,6-N-bis(1-pyridin-4-ylethylideneamino)pyrimidine-2,4,6-triamine

C24H21F2N9 — CID 139976099

IUPAC2-N-(3,5-difluorophenyl)-4-N,6-N-bis(1-pyridin-4-ylethylideneamino)pyrimidine-2,4,6-triamine
SMILESCC(=NNc1cc(NN=C(C)c2ccncc2)nc(Nc2cc(F)cc(F)c2)n1)c1ccncc1
InChIInChI=1S/C24H21F2N9/c1-15(17-3-7-27-8-4-17)32-34-22-14-23(35-33-16(2)18-5-9-28-10-6-18)31-24(30-22)29-21-12-19(25)11-20(26)13-21/h3-14H,1-2H3,(H3,29,30,31,34,35)
InChIKeyIZUYOYYJFXISIP-UHFFFAOYSA-N
MW473.49 g/mol
LogP4.96
Rot. Bonds8

About 2-N-(3,5-difluorophenyl)-4-N,6-N-bis(1-pyridin-4-ylethylideneamino)pyrimidine-2,4,6-triamine

2-N-(3,5-difluorophenyl)-4-N,6-N-bis(1-pyridin-4-ylethylideneamino)pyrimidine-2,4,6-triamine (PubChem CID 139976099) has the molecular formula C24H21F2N9 and a molecular weight of 473.49 g/mol. Its IUPAC name is 2-N-(3,5-difluorophenyl)-4-N,6-N-bis(1-pyridin-4-ylethylideneamino)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(3,5-difluorophenyl)-4-N,6-N-bis(1-pyridin-4-ylethylideneamino)pyrimidine-2,4,6-triamine
PubChem CID139976099
Molecular FormulaC24H21F2N9
Molecular Weight473.49 g/mol
Exact Mass473.19
IUPAC Name2-N-(3,5-difluorophenyl)-4-N,6-N-bis(1-pyridin-4-ylethylideneamino)pyrimidine-2,4,6-triamine
SMILESCC(=NNc1cc(NN=C(C)c2ccncc2)nc(Nc2cc(F)cc(F)c2)n1)c1ccncc1
InChIInChI=1S/C24H21F2N9/c1-15(17-3-7-27-8-4-17)32-34-22-14-23(35-33-16(2)18-5-9-28-10-6-18)31-24(30-22)29-21-12-19(25)11-20(26)13-21/h3-14H,1-2H3,(H3,29,30,31,34,35)
InChIKeyIZUYOYYJFXISIP-UHFFFAOYSA-N
XLogP4.96
TPSA112.37 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.49
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-N-(3,5-difluorophenyl)-4-N,6-N-bis(1-pyridin-4-ylethylideneamino)pyrimidine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Jnj-38893777
CID 16742146
2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 52949700
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
4-N-(3-fluorophenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328069
Pyrazolo[1,5-b]pyridazine deriv. 89
CID 6539431
4-[2-(4-fluorophenyl)-6-methylpyrazolo[1,5-b]pyridazin-3-yl]-N-phenylpyrimidin-2-amine
CID 6539440
Pyrazolo[1,5-b]pyridazine deriv. 100
CID 6539442
(4Z)-4-[(2E)-(4-fluorobenzylidene)hydrazinylidene]-2-(pyridin-3-yl)-3,4-dihydroquinazoline
CID 6866505
4,6-dimethyl-2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]pyrimidine
CID 9609651
N-benzyl-4-[(2E)-2-(4-fluorobenzylidene)hydrazinyl]-6-methylpyrimidin-2-amine
CID 9629464
N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-pyridin-2-ylquinazolin-4-amine
CID 9636918

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-difluorophenyl)-4-N,6-N-bis(1-pyridin-4-ylethylideneamino)pyrimidine-2,4,6-triamine?
The IUPAC name of 2-N-(3,5-difluorophenyl)-4-N,6-N-bis(1-pyridin-4-ylethylideneamino)pyrimidine-2,4,6-triamine (CID 139976099) is 2-N-(3,5-difluorophenyl)-4-N,6-N-bis(1-pyridin-4-ylethylideneamino)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 2-N-(3,5-difluorophenyl)-4-N,6-N-bis(1-pyridin-4-ylethylideneamino)pyrimidine-2,4,6-triamine?
The canonical SMILES for 2-N-(3,5-difluorophenyl)-4-N,6-N-bis(1-pyridin-4-ylethylideneamino)pyrimidine-2,4,6-triamine is CC(=NNc1cc(NN=C(C)c2ccncc2)nc(Nc2cc(F)cc(F)c2)n1)c1ccncc1.
What is the InChIKey of 2-N-(3,5-difluorophenyl)-4-N,6-N-bis(1-pyridin-4-ylethylideneamino)pyrimidine-2,4,6-triamine?
The InChIKey is IZUYOYYJFXISIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N9/c1-15(17-3-7-27-8-4-17)32-34-22-14-23(35-33-16(2)18-5-9-28-10-6-18)31-24(30-22)29-21-12-19(25)11-20(26)13-21/h3-14H,1-2H3,(H3,29,30,31,34,35).
What are the key properties of 2-N-(3,5-difluorophenyl)-4-N,6-N-bis(1-pyridin-4-ylethylideneamino)pyrimidine-2,4,6-triamine?
2-N-(3,5-difluorophenyl)-4-N,6-N-bis(1-pyridin-4-ylethylideneamino)pyrimidine-2,4,6-triamine has a molecular weight of 473.49 g/mol, XLogP of 4.96, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-difluorophenyl)-4-N,6-N-bis(1-pyridin-4-ylethylideneamino)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 139976099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).