4-N-(2-methoxyethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine

C15H18N6O — CID 118334970

IUPAC4-N-(2-methoxyethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
SMILESCOCCNc1nc(N)nc2ccn(Cc3ccccn3)c12
InChIInChI=1S/C15H18N6O/c1-22-9-7-18-14-13-12(19-15(16)20-14)5-8-21(13)10-11-4-2-3-6-17-11/h2-6,8H,7,9-10H2,1H3,(H3,16,18,19,20)
InChIKeyFQOOIYBSYGJQTA-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.52
Rot. Bonds6

About 4-N-(2-methoxyethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine

4-N-(2-methoxyethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine (PubChem CID 118334970) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
PubChem CID118334970
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name4-N-(2-methoxyethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
SMILESCOCCNc1nc(N)nc2ccn(Cc3ccccn3)c12
InChIInChI=1S/C15H18N6O/c1-22-9-7-18-14-13-12(19-15(16)20-14)5-8-21(13)10-11-4-2-3-6-17-11/h2-6,8H,7,9-10H2,1H3,(H3,16,18,19,20)
InChIKeyFQOOIYBSYGJQTA-UHFFFAOYSA-N
XLogP1.52
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 4-N-(2-methoxyethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine (CID 118334970) is 4-N-(2-methoxyethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine is COCCNc1nc(N)nc2ccn(Cc3ccccn3)c12.
What is the InChIKey of 4-N-(2-methoxyethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is FQOOIYBSYGJQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-22-9-7-18-14-13-12(19-15(16)20-14)5-8-21(13)10-11-4-2-3-6-17-11/h2-6,8H,7,9-10H2,1H3,(H3,16,18,19,20).
What are the key properties of 4-N-(2-methoxyethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
4-N-(2-methoxyethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 298.35 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 118334970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).