8-(2-methoxyethyl)-2-morpholin-4-ylpteridin-7-one

C13H17N5O3 — CID 3233565

IUPAC8-(2-methoxyethyl)-2-morpholin-4-ylpteridin-7-one
SMILESCOCCn1c(=O)cnc2cnc(N3CCOCC3)nc21
InChIInChI=1S/C13H17N5O3/c1-20-5-4-18-11(19)9-14-10-8-15-13(16-12(10)18)17-2-6-21-7-3-17/h8-9H,2-7H2,1H3
InChIKeyDJSAPMCUANCYCF-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.33
Rot. Bonds4

About 8-(2-methoxyethyl)-2-morpholin-4-ylpteridin-7-one

8-(2-methoxyethyl)-2-morpholin-4-ylpteridin-7-one (PubChem CID 3233565) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 8-(2-methoxyethyl)-2-morpholin-4-ylpteridin-7-one.

Molecular Properties

Compound Name8-(2-methoxyethyl)-2-morpholin-4-ylpteridin-7-one
PubChem CID3233565
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name8-(2-methoxyethyl)-2-morpholin-4-ylpteridin-7-one
SMILESCOCCn1c(=O)cnc2cnc(N3CCOCC3)nc21
InChIInChI=1S/C13H17N5O3/c1-20-5-4-18-11(19)9-14-10-8-15-13(16-12(10)18)17-2-6-21-7-3-17/h8-9H,2-7H2,1H3
InChIKeyDJSAPMCUANCYCF-UHFFFAOYSA-N
XLogP-0.33
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethyl)-2-morpholin-4-ylpteridin-7-one?
The IUPAC name of 8-(2-methoxyethyl)-2-morpholin-4-ylpteridin-7-one (CID 3233565) is 8-(2-methoxyethyl)-2-morpholin-4-ylpteridin-7-one.
What is the SMILES notation for 8-(2-methoxyethyl)-2-morpholin-4-ylpteridin-7-one?
The canonical SMILES for 8-(2-methoxyethyl)-2-morpholin-4-ylpteridin-7-one is COCCn1c(=O)cnc2cnc(N3CCOCC3)nc21.
What is the InChIKey of 8-(2-methoxyethyl)-2-morpholin-4-ylpteridin-7-one?
The InChIKey is DJSAPMCUANCYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-20-5-4-18-11(19)9-14-10-8-15-13(16-12(10)18)17-2-6-21-7-3-17/h8-9H,2-7H2,1H3.
What are the key properties of 8-(2-methoxyethyl)-2-morpholin-4-ylpteridin-7-one?
8-(2-methoxyethyl)-2-morpholin-4-ylpteridin-7-one has a molecular weight of 291.31 g/mol, XLogP of -0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethyl)-2-morpholin-4-ylpteridin-7-one is sourced from PubChem (CID 3233565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).