N-(2-methoxyethyl)-2-morpholin-4-ylpteridin-4-amine

C13H18N6O2 — CID 39315083

IUPACN-(2-methoxyethyl)-2-morpholin-4-ylpteridin-4-amine
SMILESCOCCNc1nc(N2CCOCC2)nc2nccnc12
InChIInChI=1S/C13H18N6O2/c1-20-7-4-16-12-10-11(15-3-2-14-10)17-13(18-12)19-5-8-21-9-6-19/h2-3H,4-9H2,1H3,(H,15,16,17,18)
InChIKeyIIIGOOIAFXUCLY-UHFFFAOYSA-N
MW290.33 g/mol
LogP0.31
Rot. Bonds5

About N-(2-methoxyethyl)-2-morpholin-4-ylpteridin-4-amine

N-(2-methoxyethyl)-2-morpholin-4-ylpteridin-4-amine (PubChem CID 39315083) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-morpholin-4-ylpteridin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-morpholin-4-ylpteridin-4-amine
PubChem CID39315083
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC NameN-(2-methoxyethyl)-2-morpholin-4-ylpteridin-4-amine
SMILESCOCCNc1nc(N2CCOCC2)nc2nccnc12
InChIInChI=1S/C13H18N6O2/c1-20-7-4-16-12-10-11(15-3-2-14-10)17-13(18-12)19-5-8-21-9-6-19/h2-3H,4-9H2,1H3,(H,15,16,17,18)
InChIKeyIIIGOOIAFXUCLY-UHFFFAOYSA-N
XLogP0.31
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-morpholin-4-ylpteridin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-2-morpholin-4-ylpteridin-4-amine (CID 39315083) is N-(2-methoxyethyl)-2-morpholin-4-ylpteridin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-morpholin-4-ylpteridin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-morpholin-4-ylpteridin-4-amine is COCCNc1nc(N2CCOCC2)nc2nccnc12.
What is the InChIKey of N-(2-methoxyethyl)-2-morpholin-4-ylpteridin-4-amine?
The InChIKey is IIIGOOIAFXUCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-20-7-4-16-12-10-11(15-3-2-14-10)17-13(18-12)19-5-8-21-9-6-19/h2-3H,4-9H2,1H3,(H,15,16,17,18).
What are the key properties of N-(2-methoxyethyl)-2-morpholin-4-ylpteridin-4-amine?
N-(2-methoxyethyl)-2-morpholin-4-ylpteridin-4-amine has a molecular weight of 290.33 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-morpholin-4-ylpteridin-4-amine is sourced from PubChem (CID 39315083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).