N-[(E)-[(2E)-2-(pyrimidin-2-ylhydrazinylidene)propylidene]amino]pyrimidin-2-amine

C11H12N8 — CID 10777444

IUPACN-[(E)-[(2E)-2-(pyrimidin-2-ylhydrazinylidene)propylidene]amino]pyrimidin-2-amine
SMILESCC(/C=N/Nc1ncccn1)=N\Nc1ncccn1
InChIInChI=1S/C11H12N8/c1-9(17-19-11-14-6-3-7-15-11)8-16-18-10-12-4-2-5-13-10/h2-8H,1H3,(H,12,13,18)(H,14,15,19)/b16-8+,17-9+
InChIKeyAUORCNHYPCPAOW-GONBZBRSSA-N
MW256.27 g/mol
LogP1.15
Rot. Bonds5

About N-[(E)-[(2E)-2-(pyrimidin-2-ylhydrazinylidene)propylidene]amino]pyrimidin-2-amine

N-[(E)-[(2E)-2-(pyrimidin-2-ylhydrazinylidene)propylidene]amino]pyrimidin-2-amine (PubChem CID 10777444) has the molecular formula C11H12N8 and a molecular weight of 256.27 g/mol. Its IUPAC name is N-[(E)-[(2E)-2-(pyrimidin-2-ylhydrazinylidene)propylidene]amino]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(E)-[(2E)-2-(pyrimidin-2-ylhydrazinylidene)propylidene]amino]pyrimidin-2-amine
PubChem CID10777444
Molecular FormulaC11H12N8
Molecular Weight256.27 g/mol
Exact Mass256.12
IUPAC NameN-[(E)-[(2E)-2-(pyrimidin-2-ylhydrazinylidene)propylidene]amino]pyrimidin-2-amine
SMILESCC(/C=N/Nc1ncccn1)=N\Nc1ncccn1
InChIInChI=1S/C11H12N8/c1-9(17-19-11-14-6-3-7-15-11)8-16-18-10-12-4-2-5-13-10/h2-8H,1H3,(H,12,13,18)(H,14,15,19)/b16-8+,17-9+
InChIKeyAUORCNHYPCPAOW-GONBZBRSSA-N
XLogP1.15
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-Hydrazinylpyrimidine
CID 346558
Guanidine, 1,1'-((pyrimidine-2,4-diyl)diimino)di-
CID 35796
2-(1-Methylhydrazin-1-yl)pyrimidine
CID 22591579
Pyrimidine Dimer
CID 22057568
N,N'-Di-pyrimidin-2-yl-ethane-1,2-diamine
CID 647422
1-(2-Pyrimidinyl)-4(1H)-pyridinimine
CID 3085363
Di(pyrimidin-2-yl)amine
CID 12127318
3,6-Di(pyrimidin-2-yl)-1,4-dihydro-1,2,4,5-tetrazine
CID 12987611
Methylendipyrimidin
CID 20195977
Azopyrimidine
CID 53818362
Dipyrimidinylhydrazine
CID 56613618
Dipyrimidin-2-yl diselenide
CID 85732218

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(2E)-2-(pyrimidin-2-ylhydrazinylidene)propylidene]amino]pyrimidin-2-amine?
The IUPAC name of N-[(E)-[(2E)-2-(pyrimidin-2-ylhydrazinylidene)propylidene]amino]pyrimidin-2-amine (CID 10777444) is N-[(E)-[(2E)-2-(pyrimidin-2-ylhydrazinylidene)propylidene]amino]pyrimidin-2-amine.
What is the SMILES notation for N-[(E)-[(2E)-2-(pyrimidin-2-ylhydrazinylidene)propylidene]amino]pyrimidin-2-amine?
The canonical SMILES for N-[(E)-[(2E)-2-(pyrimidin-2-ylhydrazinylidene)propylidene]amino]pyrimidin-2-amine is CC(/C=N/Nc1ncccn1)=N\Nc1ncccn1.
What is the InChIKey of N-[(E)-[(2E)-2-(pyrimidin-2-ylhydrazinylidene)propylidene]amino]pyrimidin-2-amine?
The InChIKey is AUORCNHYPCPAOW-GONBZBRSSA-N. The full InChI is InChI=1S/C11H12N8/c1-9(17-19-11-14-6-3-7-15-11)8-16-18-10-12-4-2-5-13-10/h2-8H,1H3,(H,12,13,18)(H,14,15,19)/b16-8+,17-9+.
What are the key properties of N-[(E)-[(2E)-2-(pyrimidin-2-ylhydrazinylidene)propylidene]amino]pyrimidin-2-amine?
N-[(E)-[(2E)-2-(pyrimidin-2-ylhydrazinylidene)propylidene]amino]pyrimidin-2-amine has a molecular weight of 256.27 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(2E)-2-(pyrimidin-2-ylhydrazinylidene)propylidene]amino]pyrimidin-2-amine is sourced from PubChem (CID 10777444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).