3-(6-methoxypurin-9-yl)-N-(pyridin-2-ylmethyl)propan-1-amine

C15H18N6O — CID 46903477

IUPAC3-(6-methoxypurin-9-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
SMILESCOc1ncnc2c1ncn2CCCNCc1ccccn1
InChIInChI=1S/C15H18N6O/c1-22-15-13-14(18-10-19-15)21(11-20-13)8-4-6-16-9-12-5-2-3-7-17-12/h2-3,5,7,10-11,16H,4,6,8-9H2,1H3
InChIKeyLKDGWMKSXROUPY-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.41
Rot. Bonds7

About 3-(6-methoxypurin-9-yl)-N-(pyridin-2-ylmethyl)propan-1-amine

3-(6-methoxypurin-9-yl)-N-(pyridin-2-ylmethyl)propan-1-amine (PubChem CID 46903477) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-(6-methoxypurin-9-yl)-N-(pyridin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(6-methoxypurin-9-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
PubChem CID46903477
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name3-(6-methoxypurin-9-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
SMILESCOc1ncnc2c1ncn2CCCNCc1ccccn1
InChIInChI=1S/C15H18N6O/c1-22-15-13-14(18-10-19-15)21(11-20-13)8-4-6-16-9-12-5-2-3-7-17-12/h2-3,5,7,10-11,16H,4,6,8-9H2,1H3
InChIKeyLKDGWMKSXROUPY-UHFFFAOYSA-N
XLogP1.41
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Byk-191023
CID 10308091
6-(Benzimidazol-1-Yl)-N-[5-[3-(Dimethylamino)propoxy]pyridin-2-Yl]pyrimidin-4-Amine
CID 76871873
3-(5-ethoxy-2-pyridinyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 71520979
(2R)-2-[[9-propan-2-yl-6-(pyridin-2-ylmethylamino)purin-2-yl]amino]butan-1-ol
CID 10021108
7-(2-methoxyethoxy)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine
CID 10215218
4,8-Dimethoxy-1-propyl-imidazo[1,5-a]pyrido[3,2-e]pyrazine
CID 24804536
6-(6-methoxyimidazo[1,2-a]pyridin-3-yl)-N-piperidin-4-ylpyridin-2-amine
CID 25169380
4-(1-Ethyl-4-methoxy-1H-imidazo[4,5-c]pyridin-2-yl)-furazan-3-ylamine
CID 44396989
N-(azetidin-3-yl)-6-(6-methoxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
CID 44449126
3-[3-(dimethylamino)phenyl]-7-methoxy-N-(piperidin-4-ylmethyl)triazolo[4,5-b]pyridin-5-amine
CID 53372672
2-(4-fluorophenyl)-N-[4-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine
CID 66679674
(R)-2-[9-Isopropyl-6-(pyridin-2-ylamino)-9H-purin-2-ylamino]-butan-1-ol
CID 69069650

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxypurin-9-yl)-N-(pyridin-2-ylmethyl)propan-1-amine?
The IUPAC name of 3-(6-methoxypurin-9-yl)-N-(pyridin-2-ylmethyl)propan-1-amine (CID 46903477) is 3-(6-methoxypurin-9-yl)-N-(pyridin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(6-methoxypurin-9-yl)-N-(pyridin-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(6-methoxypurin-9-yl)-N-(pyridin-2-ylmethyl)propan-1-amine is COc1ncnc2c1ncn2CCCNCc1ccccn1.
What is the InChIKey of 3-(6-methoxypurin-9-yl)-N-(pyridin-2-ylmethyl)propan-1-amine?
The InChIKey is LKDGWMKSXROUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-22-15-13-14(18-10-19-15)21(11-20-13)8-4-6-16-9-12-5-2-3-7-17-12/h2-3,5,7,10-11,16H,4,6,8-9H2,1H3.
What are the key properties of 3-(6-methoxypurin-9-yl)-N-(pyridin-2-ylmethyl)propan-1-amine?
3-(6-methoxypurin-9-yl)-N-(pyridin-2-ylmethyl)propan-1-amine has a molecular weight of 298.35 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxypurin-9-yl)-N-(pyridin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 46903477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).