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

C37H37N19 — CID 139123010

IUPAC4-N,6-N-dimethyl-4-N-[(E)-[6-[(E)-[methyl-[6-[methyl-[(E)-[6-[(E)-[methyl(pyridin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]methylideneamino]amino]pyrazin-2-yl]hydrazinylidene]methyl]pyrimidin-4-yl]methylideneamino]-6-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidine-4,6-diamine
SMILESCN(/N=C/c1cccc(/C=N/N(C)c2cncc(N(C)/N=C/c3cc(/C=N/N(C)c4cc(N(C)/N=C/c5ccccn5)ncn4)ncn3)n2)n1)c1ccccn1
InChIInChI=1S/C37H37N19/c1-52(33-14-7-9-16-40-33)46-20-29-12-10-13-30(50-29)21-47-55(4)36-24-38-25-37(51-36)56(5)49-23-32-17-31(41-26-42-32)22-48-54(3)35-18-34(43-27-44-35)53(2)45-19-28-11-6-8-15-39-28/h6-27H,1-5H3/b45-19+,46-20+,47-21+,48-22+,49-23+
InChIKeyGSSXQRVOESKNSQ-PLXSHGNASA-N
MW747.84 g/mol
LogP3.59
Rot. Bonds15

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

4-N,6-N-dimethyl-4-N-[(E)-[6-[(E)-[methyl-[6-[methyl-[(E)-[6-[(E)-[methyl(pyridin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]methylideneamino]amino]pyrazin-2-yl]hydrazinylidene]methyl]pyrimidin-4-yl]methylideneamino]-6-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidine-4,6-diamine (PubChem CID 139123010) has the molecular formula C37H37N19 and a molecular weight of 747.84 g/mol. Its IUPAC name is 4-N,6-N-dimethyl-4-N-[(E)-[6-[(E)-[methyl-[6-[methyl-[(E)-[6-[(E)-[methyl(pyridin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]methylideneamino]amino]pyrazin-2-yl]hydrazinylidene]methyl]pyrimidin-4-yl]methylideneamino]-6-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-dimethyl-4-N-[(E)-[6-[(E)-[methyl-[6-[methyl-[(E)-[6-[(E)-[methyl(pyridin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]methylideneamino]amino]pyrazin-2-yl]hydrazinylidene]methyl]pyrimidin-4-yl]methylideneamino]-6-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidine-4,6-diamine
PubChem CID139123010
Molecular FormulaC37H37N19
Molecular Weight747.84 g/mol
Exact Mass747.35
IUPAC Name4-N,6-N-dimethyl-4-N-[(E)-[6-[(E)-[methyl-[6-[methyl-[(E)-[6-[(E)-[methyl(pyridin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]methylideneamino]amino]pyrazin-2-yl]hydrazinylidene]methyl]pyrimidin-4-yl]methylideneamino]-6-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidine-4,6-diamine
SMILESCN(/N=C/c1cccc(/C=N/N(C)c2cncc(N(C)/N=C/c3cc(/C=N/N(C)c4cc(N(C)/N=C/c5ccccn5)ncn4)ncn3)n2)n1)c1ccccn1
InChIInChI=1S/C37H37N19/c1-52(33-14-7-9-16-40-33)46-20-29-12-10-13-30(50-29)21-47-55(4)36-24-38-25-37(51-36)56(5)49-23-32-17-31(41-26-42-32)22-48-54(3)35-18-34(43-27-44-35)53(2)45-19-28-11-6-8-15-39-28/h6-27H,1-5H3/b45-19+,46-20+,47-21+,48-22+,49-23+
InChIKeyGSSXQRVOESKNSQ-PLXSHGNASA-N
XLogP3.59
TPSA194.01 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.84
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

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

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Launch Full Analysis

Related Compounds

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
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
4-Pyridin-3-yl-2-pyridin-4-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 3431450
N,N-diethyl-2,6-dipyridin-2-ylpyrimidin-4-amine
CID 4101317

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-dimethyl-4-N-[(E)-[6-[(E)-[methyl-[6-[methyl-[(E)-[6-[(E)-[methyl(pyridin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]methylideneamino]amino]pyrazin-2-yl]hydrazinylidene]methyl]pyrimidin-4-yl]methylideneamino]-6-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-dimethyl-4-N-[(E)-[6-[(E)-[methyl-[6-[methyl-[(E)-[6-[(E)-[methyl(pyridin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]methylideneamino]amino]pyrazin-2-yl]hydrazinylidene]methyl]pyrimidin-4-yl]methylideneamino]-6-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidine-4,6-diamine (CID 139123010) is 4-N,6-N-dimethyl-4-N-[(E)-[6-[(E)-[methyl-[6-[methyl-[(E)-[6-[(E)-[methyl(pyridin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]methylideneamino]amino]pyrazin-2-yl]hydrazinylidene]methyl]pyrimidin-4-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)-[6-[(E)-[methyl-[6-[methyl-[(E)-[6-[(E)-[methyl(pyridin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]methylideneamino]amino]pyrazin-2-yl]hydrazinylidene]methyl]pyrimidin-4-yl]methylideneamino]-6-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-dimethyl-4-N-[(E)-[6-[(E)-[methyl-[6-[methyl-[(E)-[6-[(E)-[methyl(pyridin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]methylideneamino]amino]pyrazin-2-yl]hydrazinylidene]methyl]pyrimidin-4-yl]methylideneamino]-6-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidine-4,6-diamine is CN(/N=C/c1cccc(/C=N/N(C)c2cncc(N(C)/N=C/c3cc(/C=N/N(C)c4cc(N(C)/N=C/c5ccccn5)ncn4)ncn3)n2)n1)c1ccccn1.
What is the InChIKey of 4-N,6-N-dimethyl-4-N-[(E)-[6-[(E)-[methyl-[6-[methyl-[(E)-[6-[(E)-[methyl(pyridin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]methylideneamino]amino]pyrazin-2-yl]hydrazinylidene]methyl]pyrimidin-4-yl]methylideneamino]-6-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidine-4,6-diamine?
The InChIKey is GSSXQRVOESKNSQ-PLXSHGNASA-N. The full InChI is InChI=1S/C37H37N19/c1-52(33-14-7-9-16-40-33)46-20-29-12-10-13-30(50-29)21-47-55(4)36-24-38-25-37(51-36)56(5)49-23-32-17-31(41-26-42-32)22-48-54(3)35-18-34(43-27-44-35)53(2)45-19-28-11-6-8-15-39-28/h6-27H,1-5H3/b45-19+,46-20+,47-21+,48-22+,49-23+.
What are the key properties of 4-N,6-N-dimethyl-4-N-[(E)-[6-[(E)-[methyl-[6-[methyl-[(E)-[6-[(E)-[methyl(pyridin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]methylideneamino]amino]pyrazin-2-yl]hydrazinylidene]methyl]pyrimidin-4-yl]methylideneamino]-6-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidine-4,6-diamine?
4-N,6-N-dimethyl-4-N-[(E)-[6-[(E)-[methyl-[6-[methyl-[(E)-[6-[(E)-[methyl(pyridin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]methylideneamino]amino]pyrazin-2-yl]hydrazinylidene]methyl]pyrimidin-4-yl]methylideneamino]-6-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidine-4,6-diamine has a molecular weight of 747.84 g/mol, XLogP of 3.59, 15 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-dimethyl-4-N-[(E)-[6-[(E)-[methyl-[6-[methyl-[(E)-[6-[(E)-[methyl(pyridin-2-yl)hydrazinylidene]methyl]-2-pyridinyl]methylideneamino]amino]pyrazin-2-yl]hydrazinylidene]methyl]pyrimidin-4-yl]methylideneamino]-6-N-[(E)-pyridin-2-ylmethylideneamino]pyrimidine-4,6-diamine is sourced from PubChem (CID 139123010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).