6-benzyl-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine

C17H19N5O — CID 149197618

IUPAC6-benzyl-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCOCCNc1nc(N)nc2ccc(Cc3ccccc3)nc12
InChIInChI=1S/C17H19N5O/c1-23-10-9-19-16-15-14(21-17(18)22-16)8-7-13(20-15)11-12-5-3-2-4-6-12/h2-8H,9-11H2,1H3,(H3,18,19,21,22)
InChIKeyXEBLGYUIOHRJAL-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.26
Rot. Bonds6

About 6-benzyl-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine

6-benzyl-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine (PubChem CID 149197618) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 6-benzyl-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-benzyl-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
PubChem CID149197618
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name6-benzyl-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine
SMILESCOCCNc1nc(N)nc2ccc(Cc3ccccc3)nc12
InChIInChI=1S/C17H19N5O/c1-23-10-9-19-16-15-14(21-17(18)22-16)8-7-13(20-15)11-12-5-3-2-4-6-12/h2-8H,9-11H2,1H3,(H3,18,19,21,22)
InChIKeyXEBLGYUIOHRJAL-UHFFFAOYSA-N
XLogP2.26
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.26
H-Bond Donors ≤ 52
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 6-benzyl-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-benzyl-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine (CID 149197618) is 6-benzyl-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-benzyl-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-benzyl-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine is COCCNc1nc(N)nc2ccc(Cc3ccccc3)nc12.
What is the InChIKey of 6-benzyl-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is XEBLGYUIOHRJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-23-10-9-19-16-15-14(21-17(18)22-16)8-7-13(20-15)11-12-5-3-2-4-6-12/h2-8H,9-11H2,1H3,(H3,18,19,21,22).
What are the key properties of 6-benzyl-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine?
6-benzyl-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 309.37 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4-N-(2-methoxyethyl)pyrido[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 149197618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).