2-N-(2-methoxyethyl)-6-pyridin-4-ylpyridine-2,3-diamine

C13H16N4O — CID 20550365

IUPAC2-N-(2-methoxyethyl)-6-pyridin-4-ylpyridine-2,3-diamine
SMILESCOCCNc1nc(-c2ccncc2)ccc1N
InChIInChI=1S/C13H16N4O/c1-18-9-8-16-13-11(14)2-3-12(17-13)10-4-6-15-7-5-10/h2-7H,8-9,14H2,1H3,(H,16,17)
InChIKeySXFAJAUKVUNXRO-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.78
Rot. Bonds5

About 2-N-(2-methoxyethyl)-6-pyridin-4-ylpyridine-2,3-diamine

2-N-(2-methoxyethyl)-6-pyridin-4-ylpyridine-2,3-diamine (PubChem CID 20550365) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-N-(2-methoxyethyl)-6-pyridin-4-ylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyethyl)-6-pyridin-4-ylpyridine-2,3-diamine
PubChem CID20550365
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-N-(2-methoxyethyl)-6-pyridin-4-ylpyridine-2,3-diamine
SMILESCOCCNc1nc(-c2ccncc2)ccc1N
InChIInChI=1S/C13H16N4O/c1-18-9-8-16-13-11(14)2-3-12(17-13)10-4-6-15-7-5-10/h2-7H,8-9,14H2,1H3,(H,16,17)
InChIKeySXFAJAUKVUNXRO-UHFFFAOYSA-N
XLogP1.78
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-butyl-6-pyridin-4-ylpyridine-2,3-diamine
CID 20550337
N-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 62941456
6-(4-fluorophenyl)-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 69081048
2-(2-methoxyethylamino)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136741034
2-(2-methoxyethylamino)-5-pyridin-4-ylpyridine-3-carbonitrile
CID 70047401
6-chloro-2-N-[3-(2-methoxyethoxy)propyl]pyridine-2,3-diamine
CID 114097569
3-N-(2-methoxyethyl)quinoxaline-2,3-diamine
CID 102983552
6-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,3-diamine
CID 79021830
5-amino-6-(4-methoxybutylamino)pyridine-2-carboxamide
CID 114406169
1-N-(2-methoxyethyl)isoquinoline-1,5-diamine
CID 82570231
5-chloro-2-N-(2-methoxyethyl)pyridine-2,3-diamine
CID 79021487
5-amino-6-(5-methoxypentylamino)pyridine-2-carboxamide
CID 114131934

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyethyl)-6-pyridin-4-ylpyridine-2,3-diamine?
The IUPAC name of 2-N-(2-methoxyethyl)-6-pyridin-4-ylpyridine-2,3-diamine (CID 20550365) is 2-N-(2-methoxyethyl)-6-pyridin-4-ylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-(2-methoxyethyl)-6-pyridin-4-ylpyridine-2,3-diamine?
The canonical SMILES for 2-N-(2-methoxyethyl)-6-pyridin-4-ylpyridine-2,3-diamine is COCCNc1nc(-c2ccncc2)ccc1N.
What is the InChIKey of 2-N-(2-methoxyethyl)-6-pyridin-4-ylpyridine-2,3-diamine?
The InChIKey is SXFAJAUKVUNXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-18-9-8-16-13-11(14)2-3-12(17-13)10-4-6-15-7-5-10/h2-7H,8-9,14H2,1H3,(H,16,17).
What are the key properties of 2-N-(2-methoxyethyl)-6-pyridin-4-ylpyridine-2,3-diamine?
2-N-(2-methoxyethyl)-6-pyridin-4-ylpyridine-2,3-diamine has a molecular weight of 244.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyethyl)-6-pyridin-4-ylpyridine-2,3-diamine is sourced from PubChem (CID 20550365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).