N,N'-di(pyrimidin-2-yl)ethane-1,2-diamine

C10H12N6 — CID 647422

IUPACN,N'-di(pyrimidin-2-yl)ethane-1,2-diamine
SMILESc1cnc(NCCNc2ncccn2)nc1
InChIInChI=1S/C10H12N6/c1-3-11-9(12-4-1)15-7-8-16-10-13-5-2-6-14-10/h1-6H,7-8H2,(H,11,12,15)(H,13,14,16)
InChIKeyJXMOCVSKGPCVLU-UHFFFAOYSA-N
MW216.25 g/mol
LogP0.79
Rot. Bonds5

About N,N'-di(pyrimidin-2-yl)ethane-1,2-diamine

N,N'-di(pyrimidin-2-yl)ethane-1,2-diamine (PubChem CID 647422) has the molecular formula C10H12N6 and a molecular weight of 216.25 g/mol. Its IUPAC name is N,N'-di(pyrimidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-di(pyrimidin-2-yl)ethane-1,2-diamine
PubChem CID647422
Molecular FormulaC10H12N6
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC NameN,N'-di(pyrimidin-2-yl)ethane-1,2-diamine
SMILESc1cnc(NCCNc2ncccn2)nc1
InChIInChI=1S/C10H12N6/c1-3-11-9(12-4-1)15-7-8-16-10-13-5-2-6-14-10/h1-6H,7-8H2,(H,11,12,15)(H,13,14,16)
InChIKeyJXMOCVSKGPCVLU-UHFFFAOYSA-N
XLogP0.79
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-di(pyrimidin-2-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-di(pyrimidin-2-yl)ethane-1,2-diamine (CID 647422) is N,N'-di(pyrimidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-di(pyrimidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-di(pyrimidin-2-yl)ethane-1,2-diamine is c1cnc(NCCNc2ncccn2)nc1.
What is the InChIKey of N,N'-di(pyrimidin-2-yl)ethane-1,2-diamine?
The InChIKey is JXMOCVSKGPCVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6/c1-3-11-9(12-4-1)15-7-8-16-10-13-5-2-6-14-10/h1-6H,7-8H2,(H,11,12,15)(H,13,14,16).
What are the key properties of N,N'-di(pyrimidin-2-yl)ethane-1,2-diamine?
N,N'-di(pyrimidin-2-yl)ethane-1,2-diamine has a molecular weight of 216.25 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(pyrimidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 647422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).