8-(2-methoxyethyl)-6-methyl-2-piperazin-1-ylpteridin-7-one

C14H20N6O2 — CID 3235271

IUPAC8-(2-methoxyethyl)-6-methyl-2-piperazin-1-ylpteridin-7-one
SMILESCOCCn1c(=O)c(C)nc2cnc(N3CCNCC3)nc21
InChIInChI=1S/C14H20N6O2/c1-10-13(21)20(7-8-22-2)12-11(17-10)9-16-14(18-12)19-5-3-15-4-6-19/h9,15H,3-8H2,1-2H3
InChIKeyOJLUOIFWJCWUML-UHFFFAOYSA-N
MW304.35 g/mol
LogP-0.45
Rot. Bonds4

About 8-(2-methoxyethyl)-6-methyl-2-piperazin-1-ylpteridin-7-one

8-(2-methoxyethyl)-6-methyl-2-piperazin-1-ylpteridin-7-one (PubChem CID 3235271) has the molecular formula C14H20N6O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 8-(2-methoxyethyl)-6-methyl-2-piperazin-1-ylpteridin-7-one.

Molecular Properties

Compound Name8-(2-methoxyethyl)-6-methyl-2-piperazin-1-ylpteridin-7-one
PubChem CID3235271
Molecular FormulaC14H20N6O2
Molecular Weight304.35 g/mol
Exact Mass304.16
IUPAC Name8-(2-methoxyethyl)-6-methyl-2-piperazin-1-ylpteridin-7-one
SMILESCOCCn1c(=O)c(C)nc2cnc(N3CCNCC3)nc21
InChIInChI=1S/C14H20N6O2/c1-10-13(21)20(7-8-22-2)12-11(17-10)9-16-14(18-12)19-5-3-15-4-6-19/h9,15H,3-8H2,1-2H3
InChIKeyOJLUOIFWJCWUML-UHFFFAOYSA-N
XLogP-0.45
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethyl)-6-methyl-2-piperazin-1-ylpteridin-7-one?
The IUPAC name of 8-(2-methoxyethyl)-6-methyl-2-piperazin-1-ylpteridin-7-one (CID 3235271) is 8-(2-methoxyethyl)-6-methyl-2-piperazin-1-ylpteridin-7-one.
What is the SMILES notation for 8-(2-methoxyethyl)-6-methyl-2-piperazin-1-ylpteridin-7-one?
The canonical SMILES for 8-(2-methoxyethyl)-6-methyl-2-piperazin-1-ylpteridin-7-one is COCCn1c(=O)c(C)nc2cnc(N3CCNCC3)nc21.
What is the InChIKey of 8-(2-methoxyethyl)-6-methyl-2-piperazin-1-ylpteridin-7-one?
The InChIKey is OJLUOIFWJCWUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2/c1-10-13(21)20(7-8-22-2)12-11(17-10)9-16-14(18-12)19-5-3-15-4-6-19/h9,15H,3-8H2,1-2H3.
What are the key properties of 8-(2-methoxyethyl)-6-methyl-2-piperazin-1-ylpteridin-7-one?
8-(2-methoxyethyl)-6-methyl-2-piperazin-1-ylpteridin-7-one has a molecular weight of 304.35 g/mol, XLogP of -0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethyl)-6-methyl-2-piperazin-1-ylpteridin-7-one is sourced from PubChem (CID 3235271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).