6-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-N-propylpyridine-2,6-diamine

C15H22N4O — CID 80848647

IUPAC6-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(NC(C)c2c(C)noc2C)n1
InChIInChI=1S/C15H22N4O/c1-5-9-16-13-7-6-8-14(18-13)17-10(2)15-11(3)19-20-12(15)4/h6-8,10H,5,9H2,1-4H3,(H2,16,17,18)
InChIKeyUKVGVZXKXRYWIR-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.68
Rot. Bonds6

About 6-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-N-propylpyridine-2,6-diamine

6-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-N-propylpyridine-2,6-diamine (PubChem CID 80848647) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 6-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-N-propylpyridine-2,6-diamine
PubChem CID80848647
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name6-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(NC(C)c2c(C)noc2C)n1
InChIInChI=1S/C15H22N4O/c1-5-9-16-13-7-6-8-14(18-13)17-10(2)15-11(3)19-20-12(15)4/h6-8,10H,5,9H2,1-4H3,(H2,16,17,18)
InChIKeyUKVGVZXKXRYWIR-UHFFFAOYSA-N
XLogP3.68
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-N-propylpyridine-2,6-diamine (CID 80848647) is 6-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-N-propylpyridine-2,6-diamine is CCCNc1cccc(NC(C)c2c(C)noc2C)n1.
What is the InChIKey of 6-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-N-propylpyridine-2,6-diamine?
The InChIKey is UKVGVZXKXRYWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-5-9-16-13-7-6-8-14(18-13)17-10(2)15-11(3)19-20-12(15)4/h6-8,10H,5,9H2,1-4H3,(H2,16,17,18).
What are the key properties of 6-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-N-propylpyridine-2,6-diamine?
6-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-N-propylpyridine-2,6-diamine has a molecular weight of 274.37 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 80848647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).