8-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one

C20H24N6O3 — CID 3232783

IUPAC8-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one
SMILESCOCCn1c(=O)c(-c2ccc(OC)cc2)nc2cnc(N3CCNCC3)nc21
InChIInChI=1S/C20H24N6O3/c1-28-12-11-26-18-16(13-22-20(24-18)25-9-7-21-8-10-25)23-17(19(26)27)14-3-5-15(29-2)6-4-14/h3-6,13,21H,7-12H2,1-2H3
InChIKeyILBSGDVIGSJDGI-UHFFFAOYSA-N
MW396.45 g/mol
LogP0.92
Rot. Bonds6

About 8-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one

8-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one (PubChem CID 3232783) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 8-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one.

Molecular Properties

Compound Name8-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one
PubChem CID3232783
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Name8-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one
SMILESCOCCn1c(=O)c(-c2ccc(OC)cc2)nc2cnc(N3CCNCC3)nc21
InChIInChI=1S/C20H24N6O3/c1-28-12-11-26-18-16(13-22-20(24-18)25-9-7-21-8-10-25)23-17(19(26)27)14-3-5-15(29-2)6-4-14/h3-6,13,21H,7-12H2,1-2H3
InChIKeyILBSGDVIGSJDGI-UHFFFAOYSA-N
XLogP0.92
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one?
The IUPAC name of 8-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one (CID 3232783) is 8-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one.
What is the SMILES notation for 8-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one?
The canonical SMILES for 8-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one is COCCn1c(=O)c(-c2ccc(OC)cc2)nc2cnc(N3CCNCC3)nc21.
What is the InChIKey of 8-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one?
The InChIKey is ILBSGDVIGSJDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-28-12-11-26-18-16(13-22-20(24-18)25-9-7-21-8-10-25)23-17(19(26)27)14-3-5-15(29-2)6-4-14/h3-6,13,21H,7-12H2,1-2H3.
What are the key properties of 8-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one?
8-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one has a molecular weight of 396.45 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethyl)-6-(4-methoxyphenyl)-2-piperazin-1-ylpteridin-7-one is sourced from PubChem (CID 3232783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).