6-[amino(methyl)amino]-N-methyl-N-[(E)-[5-[(E)-[methyl(pyridin-2-yl)hydrazinylidene]methyl]pyrazin-2-yl]methylideneamino]pyrimidin-4-amine

C18H21N11 — CID 177430925

IUPAC6-[amino(methyl)amino]-N-methyl-N-[(E)-[5-[(E)-[methyl(pyridin-2-yl)hydrazinylidene]methyl]pyrazin-2-yl]methylideneamino]pyrimidin-4-amine
SMILESCN(N)c1cc(N(C)/N=C/c2cnc(/C=N/N(C)c3ccccn3)cn2)ncn1
InChIInChI=1S/C18H21N11/c1-27(19)17-8-18(24-13-23-17)29(3)26-12-15-10-21-14(9-22-15)11-25-28(2)16-6-4-5-7-20-16/h4-13H,19H2,1-3H3/b25-11+,26-12+
InChIKeyJHQAATGSAKZKII-KOZSXFMUSA-N
MW391.44 g/mol
LogP0.91
Rot. Bonds7

About 6-[amino(methyl)amino]-N-methyl-N-[(E)-[5-[(E)-[methyl(pyridin-2-yl)hydrazinylidene]methyl]pyrazin-2-yl]methylideneamino]pyrimidin-4-amine

6-[amino(methyl)amino]-N-methyl-N-[(E)-[5-[(E)-[methyl(pyridin-2-yl)hydrazinylidene]methyl]pyrazin-2-yl]methylideneamino]pyrimidin-4-amine (PubChem CID 177430925) has the molecular formula C18H21N11 and a molecular weight of 391.44 g/mol. Its IUPAC name is 6-[amino(methyl)amino]-N-methyl-N-[(E)-[5-[(E)-[methyl(pyridin-2-yl)hydrazinylidene]methyl]pyrazin-2-yl]methylideneamino]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[amino(methyl)amino]-N-methyl-N-[(E)-[5-[(E)-[methyl(pyridin-2-yl)hydrazinylidene]methyl]pyrazin-2-yl]methylideneamino]pyrimidin-4-amine
PubChem CID177430925
Molecular FormulaC18H21N11
Molecular Weight391.44 g/mol
Exact Mass391.20
IUPAC Name6-[amino(methyl)amino]-N-methyl-N-[(E)-[5-[(E)-[methyl(pyridin-2-yl)hydrazinylidene]methyl]pyrazin-2-yl]methylideneamino]pyrimidin-4-amine
SMILESCN(N)c1cc(N(C)/N=C/c2cnc(/C=N/N(C)c3ccccn3)cn2)ncn1
InChIInChI=1S/C18H21N11/c1-27(19)17-8-18(24-13-23-17)29(3)26-12-15-10-21-14(9-22-15)11-25-28(2)16-6-4-5-7-20-16/h4-13H,19H2,1-3H3/b25-11+,26-12+
InChIKeyJHQAATGSAKZKII-KOZSXFMUSA-N
XLogP0.91
TPSA124.91 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.44
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[amino(methyl)amino]-N-methyl-N-[(E)-[5-[(E)-[methyl(pyridin-2-yl)hydrazinylidene]methyl]pyrazin-2-yl]methylideneamino]pyrimidin-4-amine?
The IUPAC name of 6-[amino(methyl)amino]-N-methyl-N-[(E)-[5-[(E)-[methyl(pyridin-2-yl)hydrazinylidene]methyl]pyrazin-2-yl]methylideneamino]pyrimidin-4-amine (CID 177430925) is 6-[amino(methyl)amino]-N-methyl-N-[(E)-[5-[(E)-[methyl(pyridin-2-yl)hydrazinylidene]methyl]pyrazin-2-yl]methylideneamino]pyrimidin-4-amine.
What is the SMILES notation for 6-[amino(methyl)amino]-N-methyl-N-[(E)-[5-[(E)-[methyl(pyridin-2-yl)hydrazinylidene]methyl]pyrazin-2-yl]methylideneamino]pyrimidin-4-amine?
The canonical SMILES for 6-[amino(methyl)amino]-N-methyl-N-[(E)-[5-[(E)-[methyl(pyridin-2-yl)hydrazinylidene]methyl]pyrazin-2-yl]methylideneamino]pyrimidin-4-amine is CN(N)c1cc(N(C)/N=C/c2cnc(/C=N/N(C)c3ccccn3)cn2)ncn1.
What is the InChIKey of 6-[amino(methyl)amino]-N-methyl-N-[(E)-[5-[(E)-[methyl(pyridin-2-yl)hydrazinylidene]methyl]pyrazin-2-yl]methylideneamino]pyrimidin-4-amine?
The InChIKey is JHQAATGSAKZKII-KOZSXFMUSA-N. The full InChI is InChI=1S/C18H21N11/c1-27(19)17-8-18(24-13-23-17)29(3)26-12-15-10-21-14(9-22-15)11-25-28(2)16-6-4-5-7-20-16/h4-13H,19H2,1-3H3/b25-11+,26-12+.
What are the key properties of 6-[amino(methyl)amino]-N-methyl-N-[(E)-[5-[(E)-[methyl(pyridin-2-yl)hydrazinylidene]methyl]pyrazin-2-yl]methylideneamino]pyrimidin-4-amine?
6-[amino(methyl)amino]-N-methyl-N-[(E)-[5-[(E)-[methyl(pyridin-2-yl)hydrazinylidene]methyl]pyrazin-2-yl]methylideneamino]pyrimidin-4-amine has a molecular weight of 391.44 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino(methyl)amino]-N-methyl-N-[(E)-[5-[(E)-[methyl(pyridin-2-yl)hydrazinylidene]methyl]pyrazin-2-yl]methylideneamino]pyrimidin-4-amine is sourced from PubChem (CID 177430925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).