4-N-(2-methoxyethyl)-2-N-(pyridin-2-ylmethyl)pteridine-2,4-diamine

C15H17N7O — CID 39046785

IUPAC4-N-(2-methoxyethyl)-2-N-(pyridin-2-ylmethyl)pteridine-2,4-diamine
SMILESCOCCNc1nc(NCc2ccccn2)nc2nccnc12
InChIInChI=1S/C15H17N7O/c1-23-9-8-19-14-12-13(18-7-6-17-12)21-15(22-14)20-10-11-4-2-3-5-16-11/h2-7H,8-10H2,1H3,(H2,18,19,20,21,22)
InChIKeyLITDXSLTFUPRCC-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.49
Rot. Bonds7

About 4-N-(2-methoxyethyl)-2-N-(pyridin-2-ylmethyl)pteridine-2,4-diamine

4-N-(2-methoxyethyl)-2-N-(pyridin-2-ylmethyl)pteridine-2,4-diamine (PubChem CID 39046785) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-2-N-(pyridin-2-ylmethyl)pteridine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-2-N-(pyridin-2-ylmethyl)pteridine-2,4-diamine
PubChem CID39046785
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name4-N-(2-methoxyethyl)-2-N-(pyridin-2-ylmethyl)pteridine-2,4-diamine
SMILESCOCCNc1nc(NCc2ccccn2)nc2nccnc12
InChIInChI=1S/C15H17N7O/c1-23-9-8-19-14-12-13(18-7-6-17-12)21-15(22-14)20-10-11-4-2-3-5-16-11/h2-7H,8-10H2,1H3,(H2,18,19,20,21,22)
InChIKeyLITDXSLTFUPRCC-UHFFFAOYSA-N
XLogP1.49
TPSA97.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-N-(2-methoxyethyl)-2-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112869473
2-N-(2-methoxyethyl)-5-phenyl-4-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 67382340
N-(2-methoxyethyl)-2-(4-phenylpiperazin-1-yl)pteridin-4-amine
CID 39336298
N-(2-methoxyethyl)pteridin-4-amine
CID 35197462
4-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pteridin-2-amine
CID 45495177
2-N,4-N-diphenyl-6-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 67212949
5-methyl-2-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 71922543
6-methoxy-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80777487
5-[(2-methoxyethylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106968280
2-(2-methoxyethylamino)-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 51048761
N-(pyridin-2-ylmethyl)-1,3,5-triazin-2-amine
CID 123270108
4-ethoxy-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636547

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-2-N-(pyridin-2-ylmethyl)pteridine-2,4-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)-2-N-(pyridin-2-ylmethyl)pteridine-2,4-diamine (CID 39046785) is 4-N-(2-methoxyethyl)-2-N-(pyridin-2-ylmethyl)pteridine-2,4-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-2-N-(pyridin-2-ylmethyl)pteridine-2,4-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-2-N-(pyridin-2-ylmethyl)pteridine-2,4-diamine is COCCNc1nc(NCc2ccccn2)nc2nccnc12.
What is the InChIKey of 4-N-(2-methoxyethyl)-2-N-(pyridin-2-ylmethyl)pteridine-2,4-diamine?
The InChIKey is LITDXSLTFUPRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c1-23-9-8-19-14-12-13(18-7-6-17-12)21-15(22-14)20-10-11-4-2-3-5-16-11/h2-7H,8-10H2,1H3,(H2,18,19,20,21,22).
What are the key properties of 4-N-(2-methoxyethyl)-2-N-(pyridin-2-ylmethyl)pteridine-2,4-diamine?
4-N-(2-methoxyethyl)-2-N-(pyridin-2-ylmethyl)pteridine-2,4-diamine has a molecular weight of 311.35 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-2-N-(pyridin-2-ylmethyl)pteridine-2,4-diamine is sourced from PubChem (CID 39046785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).