8-(2-methoxyethyl)-6-methyl-2-morpholin-4-ylpteridin-7-one

C14H19N5O3 — CID 3234388

IUPAC8-(2-methoxyethyl)-6-methyl-2-morpholin-4-ylpteridin-7-one
SMILESCOCCn1c(=O)c(C)nc2cnc(N3CCOCC3)nc21
InChIInChI=1S/C14H19N5O3/c1-10-13(20)19(5-6-21-2)12-11(16-10)9-15-14(17-12)18-3-7-22-8-4-18/h9H,3-8H2,1-2H3
InChIKeyIBDIMKNKZNFYQB-UHFFFAOYSA-N
MW305.34 g/mol
LogP-0.02
Rot. Bonds4

About 8-(2-methoxyethyl)-6-methyl-2-morpholin-4-ylpteridin-7-one

8-(2-methoxyethyl)-6-methyl-2-morpholin-4-ylpteridin-7-one (PubChem CID 3234388) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 8-(2-methoxyethyl)-6-methyl-2-morpholin-4-ylpteridin-7-one.

Molecular Properties

Compound Name8-(2-methoxyethyl)-6-methyl-2-morpholin-4-ylpteridin-7-one
PubChem CID3234388
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name8-(2-methoxyethyl)-6-methyl-2-morpholin-4-ylpteridin-7-one
SMILESCOCCn1c(=O)c(C)nc2cnc(N3CCOCC3)nc21
InChIInChI=1S/C14H19N5O3/c1-10-13(20)19(5-6-21-2)12-11(16-10)9-15-14(17-12)18-3-7-22-8-4-18/h9H,3-8H2,1-2H3
InChIKeyIBDIMKNKZNFYQB-UHFFFAOYSA-N
XLogP-0.02
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethyl)-6-methyl-2-morpholin-4-ylpteridin-7-one?
The IUPAC name of 8-(2-methoxyethyl)-6-methyl-2-morpholin-4-ylpteridin-7-one (CID 3234388) is 8-(2-methoxyethyl)-6-methyl-2-morpholin-4-ylpteridin-7-one.
What is the SMILES notation for 8-(2-methoxyethyl)-6-methyl-2-morpholin-4-ylpteridin-7-one?
The canonical SMILES for 8-(2-methoxyethyl)-6-methyl-2-morpholin-4-ylpteridin-7-one is COCCn1c(=O)c(C)nc2cnc(N3CCOCC3)nc21.
What is the InChIKey of 8-(2-methoxyethyl)-6-methyl-2-morpholin-4-ylpteridin-7-one?
The InChIKey is IBDIMKNKZNFYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-10-13(20)19(5-6-21-2)12-11(16-10)9-15-14(17-12)18-3-7-22-8-4-18/h9H,3-8H2,1-2H3.
What are the key properties of 8-(2-methoxyethyl)-6-methyl-2-morpholin-4-ylpteridin-7-one?
8-(2-methoxyethyl)-6-methyl-2-morpholin-4-ylpteridin-7-one has a molecular weight of 305.34 g/mol, XLogP of -0.02, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethyl)-6-methyl-2-morpholin-4-ylpteridin-7-one is sourced from PubChem (CID 3234388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).