4-N,6-N-dimethyl-4-N-[(E)-[5-[(E)-[methyl-[6-[methyl-[(E)-pyridin-2-ylmethylideneamino]amino]pyrimidin-4-yl]hydrazinylidene]methyl]pyrazin-2-yl]methylideneamino]-6-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidine-4,6-diamine

C30H30N16 — CID 177404965

IUPAC4-N,6-N-dimethyl-4-N-[(E)-[5-[(E)-[methyl-[6-[methyl-[(E)-pyridin-2-ylmethylideneamino]amino]pyrimidin-4-yl]hydrazinylidene]methyl]pyrazin-2-yl]methylideneamino]-6-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidine-4,6-diamine
SMILESCN(/N=C/c1ccccn1)c1cc(N(C)/N=C/c2cnc(/C=N/N(C)c3cc(N(C)/N=C/c4ccccn4)ncn3)cn2)ncn1
InChIInChI=1S/C30H30N16/c1-43(39-17-23-9-5-7-11-31-23)27-13-29(37-21-35-27)45(3)41-19-25-15-34-26(16-33-25)20-42-46(4)30-14-28(36-22-38-30)44(2)40-18-24-10-6-8-12-32-24/h5-22H,1-4H3/b39-17+,40-18+,41-19+,42-20+
InChIKeyIHAADIDDMRAZAK-KBDLGSLKSA-N
MW614.68 g/mol
LogP2.73
Rot. Bonds12

About 4-N,6-N-dimethyl-4-N-[(E)-[5-[(E)-[methyl-[6-[methyl-[(E)-pyridin-2-ylmethylideneamino]amino]pyrimidin-4-yl]hydrazinylidene]methyl]pyrazin-2-yl]methylideneamino]-6-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidine-4,6-diamine

4-N,6-N-dimethyl-4-N-[(E)-[5-[(E)-[methyl-[6-[methyl-[(E)-pyridin-2-ylmethylideneamino]amino]pyrimidin-4-yl]hydrazinylidene]methyl]pyrazin-2-yl]methylideneamino]-6-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidine-4,6-diamine (PubChem CID 177404965) has the molecular formula C30H30N16 and a molecular weight of 614.68 g/mol. Its IUPAC name is 4-N,6-N-dimethyl-4-N-[(E)-[5-[(E)-[methyl-[6-[methyl-[(E)-pyridin-2-ylmethylideneamino]amino]pyrimidin-4-yl]hydrazinylidene]methyl]pyrazin-2-yl]methylideneamino]-6-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-dimethyl-4-N-[(E)-[5-[(E)-[methyl-[6-[methyl-[(E)-pyridin-2-ylmethylideneamino]amino]pyrimidin-4-yl]hydrazinylidene]methyl]pyrazin-2-yl]methylideneamino]-6-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidine-4,6-diamine
PubChem CID177404965
Molecular FormulaC30H30N16
Molecular Weight614.68 g/mol
Exact Mass614.28
IUPAC Name4-N,6-N-dimethyl-4-N-[(E)-[5-[(E)-[methyl-[6-[methyl-[(E)-pyridin-2-ylmethylideneamino]amino]pyrimidin-4-yl]hydrazinylidene]methyl]pyrazin-2-yl]methylideneamino]-6-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidine-4,6-diamine
SMILESCN(/N=C/c1ccccn1)c1cc(N(C)/N=C/c2cnc(/C=N/N(C)c3cc(N(C)/N=C/c4ccccn4)ncn3)cn2)ncn1
InChIInChI=1S/C30H30N16/c1-43(39-17-23-9-5-7-11-31-23)27-13-29(37-21-35-27)45(3)41-19-25-15-34-26(16-33-25)20-42-46(4)30-14-28(36-22-38-30)44(2)40-18-24-10-6-8-12-32-24/h5-22H,1-4H3/b39-17+,40-18+,41-19+,42-20+
InChIKeyIHAADIDDMRAZAK-KBDLGSLKSA-N
XLogP2.73
TPSA165.52 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.68
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 4-N,6-N-dimethyl-4-N-[(E)-[5-[(E)-[methyl-[6-[methyl-[(E)-pyridin-2-ylmethylideneamino]amino]pyrimidin-4-yl]hydrazinylidene]methyl]pyrazin-2-yl]methylideneamino]-6-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidine-4,6-diamine with MolForge

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Related Compounds

2,4,6-Tris(2'-pyridyl)-1,3,5-triazine
CID 77258
Tt-301
CID 54576073
3-Phenyl-4-(Pyridin-4-Yl)-6-[4-(Pyrimidin-2-Yl)piperazin-1-Yl]pyridazine
CID 24743826
6-N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-2-N-phenyl-4-piperidin-1-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 145975282
3,5,6-Tri(pyridin-2-yl)-1,2,4-triazine
CID 473557
N-(3-fluoro-2-pyridyl)-5-[6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-2-amine
CID 66551113
5,8-Dimethyl-2-(2-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrazine
CID 118525755
5,7-Dimethyl-2-(2-pyridin-2-ylimidazo[1,2-a]pyrimidin-7-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 118525809
2-Methyl-4-(4-methylpiperazin-1-yl)-6-[(2-pyridin-2-ylpiperidin-1-yl)methyl]pyrimidine
CID 138501606
6-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2-N-phenyl-4-piperidin-1-ylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 145978122
6-(6-Methylpyrazin-2-yl)-1-(6-piperazin-1-yl-2-pyridinyl)pyrazolo[4,3-c]pyridazine
CID 89914658
N-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-2-ylpyrimidin-4-amine
CID 3262159

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-dimethyl-4-N-[(E)-[5-[(E)-[methyl-[6-[methyl-[(E)-pyridin-2-ylmethylideneamino]amino]pyrimidin-4-yl]hydrazinylidene]methyl]pyrazin-2-yl]methylideneamino]-6-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-dimethyl-4-N-[(E)-[5-[(E)-[methyl-[6-[methyl-[(E)-pyridin-2-ylmethylideneamino]amino]pyrimidin-4-yl]hydrazinylidene]methyl]pyrazin-2-yl]methylideneamino]-6-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidine-4,6-diamine (CID 177404965) is 4-N,6-N-dimethyl-4-N-[(E)-[5-[(E)-[methyl-[6-[methyl-[(E)-pyridin-2-ylmethylideneamino]amino]pyrimidin-4-yl]hydrazinylidene]methyl]pyrazin-2-yl]methylideneamino]-6-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-dimethyl-4-N-[(E)-[5-[(E)-[methyl-[6-[methyl-[(E)-pyridin-2-ylmethylideneamino]amino]pyrimidin-4-yl]hydrazinylidene]methyl]pyrazin-2-yl]methylideneamino]-6-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-dimethyl-4-N-[(E)-[5-[(E)-[methyl-[6-[methyl-[(E)-pyridin-2-ylmethylideneamino]amino]pyrimidin-4-yl]hydrazinylidene]methyl]pyrazin-2-yl]methylideneamino]-6-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidine-4,6-diamine is CN(/N=C/c1ccccn1)c1cc(N(C)/N=C/c2cnc(/C=N/N(C)c3cc(N(C)/N=C/c4ccccn4)ncn3)cn2)ncn1.
What is the InChIKey of 4-N,6-N-dimethyl-4-N-[(E)-[5-[(E)-[methyl-[6-[methyl-[(E)-pyridin-2-ylmethylideneamino]amino]pyrimidin-4-yl]hydrazinylidene]methyl]pyrazin-2-yl]methylideneamino]-6-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidine-4,6-diamine?
The InChIKey is IHAADIDDMRAZAK-KBDLGSLKSA-N. The full InChI is InChI=1S/C30H30N16/c1-43(39-17-23-9-5-7-11-31-23)27-13-29(37-21-35-27)45(3)41-19-25-15-34-26(16-33-25)20-42-46(4)30-14-28(36-22-38-30)44(2)40-18-24-10-6-8-12-32-24/h5-22H,1-4H3/b39-17+,40-18+,41-19+,42-20+.
What are the key properties of 4-N,6-N-dimethyl-4-N-[(E)-[5-[(E)-[methyl-[6-[methyl-[(E)-pyridin-2-ylmethylideneamino]amino]pyrimidin-4-yl]hydrazinylidene]methyl]pyrazin-2-yl]methylideneamino]-6-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidine-4,6-diamine?
4-N,6-N-dimethyl-4-N-[(E)-[5-[(E)-[methyl-[6-[methyl-[(E)-pyridin-2-ylmethylideneamino]amino]pyrimidin-4-yl]hydrazinylidene]methyl]pyrazin-2-yl]methylideneamino]-6-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidine-4,6-diamine has a molecular weight of 614.68 g/mol, XLogP of 2.73, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-dimethyl-4-N-[(E)-[5-[(E)-[methyl-[6-[methyl-[(E)-pyridin-2-ylmethylideneamino]amino]pyrimidin-4-yl]hydrazinylidene]methyl]pyrazin-2-yl]methylideneamino]-6-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidine-4,6-diamine is sourced from PubChem (CID 177404965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).