N-(2-methoxyethyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine

C12H17N5O — CID 20912624

IUPACN-(2-methoxyethyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine
SMILESCOCCNc1ncnc2c1nc1n2CCCC1
InChIInChI=1S/C12H17N5O/c1-18-7-5-13-11-10-12(15-8-14-11)17-6-3-2-4-9(17)16-10/h8H,2-7H2,1H3,(H,13,14,15)
InChIKeyBNYRMLVLRQBVLY-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.22
Rot. Bonds4

About N-(2-methoxyethyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine

N-(2-methoxyethyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine (PubChem CID 20912624) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine
PubChem CID20912624
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-(2-methoxyethyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine
SMILESCOCCNc1ncnc2c1nc1n2CCCC1
InChIInChI=1S/C12H17N5O/c1-18-7-5-13-11-10-12(15-8-14-11)17-6-3-2-4-9(17)16-10/h8H,2-7H2,1H3,(H,13,14,15)
InChIKeyBNYRMLVLRQBVLY-UHFFFAOYSA-N
XLogP1.22
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
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-(2-methoxyethyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine (CID 20912624) is N-(2-methoxyethyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine is COCCNc1ncnc2c1nc1n2CCCC1.
What is the InChIKey of N-(2-methoxyethyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine?
The InChIKey is BNYRMLVLRQBVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-18-7-5-13-11-10-12(15-8-14-11)17-6-3-2-4-9(17)16-10/h8H,2-7H2,1H3,(H,13,14,15).
What are the key properties of N-(2-methoxyethyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine?
N-(2-methoxyethyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine has a molecular weight of 247.30 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6,7,8,9-tetrahydropurino[9,8-a]pyridin-4-amine is sourced from PubChem (CID 20912624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).