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

C16H20N6O — CID 118335006

IUPAC4-N-(2-ethoxyethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
SMILESCCOCCNc1nc(N)nc2ccn(Cc3ccccn3)c12
InChIInChI=1S/C16H20N6O/c1-2-23-10-8-19-15-14-13(20-16(17)21-15)6-9-22(14)11-12-5-3-4-7-18-12/h3-7,9H,2,8,10-11H2,1H3,(H3,17,19,20,21)
InChIKeyOJCFSAPWIPCTQS-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.91
Rot. Bonds7

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

4-N-(2-ethoxyethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine (PubChem CID 118335006) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 4-N-(2-ethoxyethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxyethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
PubChem CID118335006
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name4-N-(2-ethoxyethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
SMILESCCOCCNc1nc(N)nc2ccn(Cc3ccccn3)c12
InChIInChI=1S/C16H20N6O/c1-2-23-10-8-19-15-14-13(20-16(17)21-15)6-9-22(14)11-12-5-3-4-7-18-12/h3-7,9H,2,8,10-11H2,1H3,(H3,17,19,20,21)
InChIKeyOJCFSAPWIPCTQS-UHFFFAOYSA-N
XLogP1.91
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.91
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-ethoxyethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-ethoxyethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine (CID 118335006) is 4-N-(2-ethoxyethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-ethoxyethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-ethoxyethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine is CCOCCNc1nc(N)nc2ccn(Cc3ccccn3)c12.
What is the InChIKey of 4-N-(2-ethoxyethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is OJCFSAPWIPCTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-2-23-10-8-19-15-14-13(20-16(17)21-15)6-9-22(14)11-12-5-3-4-7-18-12/h3-7,9H,2,8,10-11H2,1H3,(H3,17,19,20,21).
What are the key properties of 4-N-(2-ethoxyethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine?
4-N-(2-ethoxyethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 312.38 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxyethyl)-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 118335006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).