N-[(1-ethylimidazol-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine

C13H20N6 — CID 75377478

IUPACN-[(1-ethylimidazol-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine
SMILESCCn1ccnc1CNCCCNc1ncccn1
InChIInChI=1S/C13H20N6/c1-2-19-10-9-15-12(19)11-14-5-3-6-16-13-17-7-4-8-18-13/h4,7-10,14H,2-3,5-6,11H2,1H3,(H,16,17,18)
InChIKeyZAJIHHAFXJIDHM-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.28
Rot. Bonds8

About N-[(1-ethylimidazol-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine

N-[(1-ethylimidazol-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine (PubChem CID 75377478) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[(1-ethylimidazol-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(1-ethylimidazol-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine
PubChem CID75377478
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC NameN-[(1-ethylimidazol-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine
SMILESCCn1ccnc1CNCCCNc1ncccn1
InChIInChI=1S/C13H20N6/c1-2-19-10-9-15-12(19)11-14-5-3-6-16-13-17-7-4-8-18-13/h4,7-10,14H,2-3,5-6,11H2,1H3,(H,16,17,18)
InChIKeyZAJIHHAFXJIDHM-UHFFFAOYSA-N
XLogP1.28
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.28
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-[(1-ethylimidazol-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine?
The IUPAC name of N-[(1-ethylimidazol-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine (CID 75377478) is N-[(1-ethylimidazol-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-[(1-ethylimidazol-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine?
The canonical SMILES for N-[(1-ethylimidazol-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine is CCn1ccnc1CNCCCNc1ncccn1.
What is the InChIKey of N-[(1-ethylimidazol-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine?
The InChIKey is ZAJIHHAFXJIDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-2-19-10-9-15-12(19)11-14-5-3-6-16-13-17-7-4-8-18-13/h4,7-10,14H,2-3,5-6,11H2,1H3,(H,16,17,18).
What are the key properties of N-[(1-ethylimidazol-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine?
N-[(1-ethylimidazol-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine has a molecular weight of 260.34 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylimidazol-2-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine is sourced from PubChem (CID 75377478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).