N-(2-methoxyethyl)-2-pyrrolidin-1-ylpteridin-4-amine

C13H18N6O — CID 39350414

IUPACN-(2-methoxyethyl)-2-pyrrolidin-1-ylpteridin-4-amine
SMILESCOCCNc1nc(N2CCCC2)nc2nccnc12
InChIInChI=1S/C13H18N6O/c1-20-9-6-16-12-10-11(15-5-4-14-10)17-13(18-12)19-7-2-3-8-19/h4-5H,2-3,6-9H2,1H3,(H,15,16,17,18)
InChIKeyPVKVJAWVZGDIRK-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.08
Rot. Bonds5

About N-(2-methoxyethyl)-2-pyrrolidin-1-ylpteridin-4-amine

N-(2-methoxyethyl)-2-pyrrolidin-1-ylpteridin-4-amine (PubChem CID 39350414) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-pyrrolidin-1-ylpteridin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-pyrrolidin-1-ylpteridin-4-amine
PubChem CID39350414
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC NameN-(2-methoxyethyl)-2-pyrrolidin-1-ylpteridin-4-amine
SMILESCOCCNc1nc(N2CCCC2)nc2nccnc12
InChIInChI=1S/C13H18N6O/c1-20-9-6-16-12-10-11(15-5-4-14-10)17-13(18-12)19-7-2-3-8-19/h4-5H,2-3,6-9H2,1H3,(H,15,16,17,18)
InChIKeyPVKVJAWVZGDIRK-UHFFFAOYSA-N
XLogP1.08
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
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 N-(2-methoxyethyl)-2-pyrrolidin-1-ylpteridin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-2-pyrrolidin-1-ylpteridin-4-amine (CID 39350414) is N-(2-methoxyethyl)-2-pyrrolidin-1-ylpteridin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-pyrrolidin-1-ylpteridin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-pyrrolidin-1-ylpteridin-4-amine is COCCNc1nc(N2CCCC2)nc2nccnc12.
What is the InChIKey of N-(2-methoxyethyl)-2-pyrrolidin-1-ylpteridin-4-amine?
The InChIKey is PVKVJAWVZGDIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-20-9-6-16-12-10-11(15-5-4-14-10)17-13(18-12)19-7-2-3-8-19/h4-5H,2-3,6-9H2,1H3,(H,15,16,17,18).
What are the key properties of N-(2-methoxyethyl)-2-pyrrolidin-1-ylpteridin-4-amine?
N-(2-methoxyethyl)-2-pyrrolidin-1-ylpteridin-4-amine has a molecular weight of 274.33 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-pyrrolidin-1-ylpteridin-4-amine is sourced from PubChem (CID 39350414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).