N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine

C15H24N6 — CID 75377479

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine
SMILESCCn1nc(C)c(CNCCCNc2ncccn2)c1C
InChIInChI=1S/C15H24N6/c1-4-21-13(3)14(12(2)20-21)11-16-7-5-8-17-15-18-9-6-10-19-15/h6,9-10,16H,4-5,7-8,11H2,1-3H3,(H,17,18,19)
InChIKeyHIUXRZIFNSYFRD-UHFFFAOYSA-N
MW288.40 g/mol
LogP1.90
Rot. Bonds8

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine (PubChem CID 75377479) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine
PubChem CID75377479
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine
SMILESCCn1nc(C)c(CNCCCNc2ncccn2)c1C
InChIInChI=1S/C15H24N6/c1-4-21-13(3)14(12(2)20-21)11-16-7-5-8-17-15-18-9-6-10-19-15/h6,9-10,16H,4-5,7-8,11H2,1-3H3,(H,17,18,19)
InChIKeyHIUXRZIFNSYFRD-UHFFFAOYSA-N
XLogP1.90
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 51.90
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-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine (CID 75377479) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine is CCn1nc(C)c(CNCCCNc2ncccn2)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine?
The InChIKey is HIUXRZIFNSYFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-4-21-13(3)14(12(2)20-21)11-16-7-5-8-17-15-18-9-6-10-19-15/h6,9-10,16H,4-5,7-8,11H2,1-3H3,(H,17,18,19).
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine has a molecular weight of 288.40 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N'-pyrimidin-2-ylpropane-1,3-diamine is sourced from PubChem (CID 75377479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).