N-(2-methoxyethyl)pteridin-4-amine

C9H11N5O — CID 35197462

IUPACN-(2-methoxyethyl)pteridin-4-amine
SMILESCOCCNc1ncnc2nccnc12
InChIInChI=1S/C9H11N5O/c1-15-5-4-12-9-7-8(13-6-14-9)11-3-2-10-7/h2-3,6H,4-5H2,1H3,(H,11,12,13,14)
InChIKeyKZNKJYUWCFWSRE-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.48
Rot. Bonds4

About N-(2-methoxyethyl)pteridin-4-amine

N-(2-methoxyethyl)pteridin-4-amine (PubChem CID 35197462) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is N-(2-methoxyethyl)pteridin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)pteridin-4-amine
PubChem CID35197462
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC NameN-(2-methoxyethyl)pteridin-4-amine
SMILESCOCCNc1ncnc2nccnc12
InChIInChI=1S/C9H11N5O/c1-15-5-4-12-9-7-8(13-6-14-9)11-3-2-10-7/h2-3,6H,4-5H2,1H3,(H,11,12,13,14)
InChIKeyKZNKJYUWCFWSRE-UHFFFAOYSA-N
XLogP0.48
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.48
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)pteridin-4-amine?
The IUPAC name of N-(2-methoxyethyl)pteridin-4-amine (CID 35197462) is N-(2-methoxyethyl)pteridin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)pteridin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)pteridin-4-amine is COCCNc1ncnc2nccnc12.
What is the InChIKey of N-(2-methoxyethyl)pteridin-4-amine?
The InChIKey is KZNKJYUWCFWSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-15-5-4-12-9-7-8(13-6-14-9)11-3-2-10-7/h2-3,6H,4-5H2,1H3,(H,11,12,13,14).
What are the key properties of N-(2-methoxyethyl)pteridin-4-amine?
N-(2-methoxyethyl)pteridin-4-amine has a molecular weight of 205.22 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)pteridin-4-amine is sourced from PubChem (CID 35197462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).