6-N-[(2-methoxy-4-pyridinyl)methyl]-2-N-propylpyridine-2,6-diamine

C15H20N4O — CID 80831001

IUPAC6-N-[(2-methoxy-4-pyridinyl)methyl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(NCc2ccnc(OC)c2)n1
InChIInChI=1S/C15H20N4O/c1-3-8-16-13-5-4-6-14(19-13)18-11-12-7-9-17-15(10-12)20-2/h4-7,9-10H,3,8,11H2,1-2H3,(H2,16,18,19)
InChIKeyMVKGEIBDDIWSFJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.92
Rot. Bonds7

About 6-N-[(2-methoxy-4-pyridinyl)methyl]-2-N-propylpyridine-2,6-diamine

6-N-[(2-methoxy-4-pyridinyl)methyl]-2-N-propylpyridine-2,6-diamine (PubChem CID 80831001) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 6-N-[(2-methoxy-4-pyridinyl)methyl]-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(2-methoxy-4-pyridinyl)methyl]-2-N-propylpyridine-2,6-diamine
PubChem CID80831001
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name6-N-[(2-methoxy-4-pyridinyl)methyl]-2-N-propylpyridine-2,6-diamine
SMILESCCCNc1cccc(NCc2ccnc(OC)c2)n1
InChIInChI=1S/C15H20N4O/c1-3-8-16-13-5-4-6-14(19-13)18-11-12-7-9-17-15(10-12)20-2/h4-7,9-10H,3,8,11H2,1-2H3,(H2,16,18,19)
InChIKeyMVKGEIBDDIWSFJ-UHFFFAOYSA-N
XLogP2.92
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydrazinyl-N-[(2-methoxy-4-pyridinyl)methyl]pyridin-2-amine
CID 80914693
8-bromo-N-[(2-methoxy-4-pyridinyl)methyl]quinolin-2-amine
CID 133370284
2-N-[(2-methoxy-4-pyridinyl)methyl]pyrazine-2,6-diamine
CID 78988760
N-[(2-methoxy-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372545
6-N-[(4-ethylphenyl)methyl]-2-N-propylpyridine-2,6-diamine
CID 106900926
4-N-[(2-methoxy-4-pyridinyl)methyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80831217
N-[2-(2-methoxy-4-pyridinyl)ethyl]-2-methylpyrimidin-4-amine
CID 125420725
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
N-[(2-methoxy-4-pyridinyl)methyl]-1-(3-propoxyphenyl)methanamine
CID 60957658
6-N-[(4-propan-2-ylphenyl)methyl]-2-N-propylpyridine-2,6-diamine
CID 80793098
3-N-ethyl-5-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3,5-diamine
CID 104534447
1-[(2-methoxy-4-pyridinyl)methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111228262

Frequently Asked Questions

What is the IUPAC name of 6-N-[(2-methoxy-4-pyridinyl)methyl]-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N-[(2-methoxy-4-pyridinyl)methyl]-2-N-propylpyridine-2,6-diamine (CID 80831001) is 6-N-[(2-methoxy-4-pyridinyl)methyl]-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(2-methoxy-4-pyridinyl)methyl]-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N-[(2-methoxy-4-pyridinyl)methyl]-2-N-propylpyridine-2,6-diamine is CCCNc1cccc(NCc2ccnc(OC)c2)n1.
What is the InChIKey of 6-N-[(2-methoxy-4-pyridinyl)methyl]-2-N-propylpyridine-2,6-diamine?
The InChIKey is MVKGEIBDDIWSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-8-16-13-5-4-6-14(19-13)18-11-12-7-9-17-15(10-12)20-2/h4-7,9-10H,3,8,11H2,1-2H3,(H2,16,18,19).
What are the key properties of 6-N-[(2-methoxy-4-pyridinyl)methyl]-2-N-propylpyridine-2,6-diamine?
6-N-[(2-methoxy-4-pyridinyl)methyl]-2-N-propylpyridine-2,6-diamine has a molecular weight of 272.35 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2-methoxy-4-pyridinyl)methyl]-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 80831001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).