2-(4-methylpiperazin-1-yl)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one

C20H20N6OS2 — CID 3235550

IUPAC2-(4-methylpiperazin-1-yl)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESCN1CCN(c2ncc3nc(-c4cccs4)c(=O)n(Cc4cccs4)c3n2)CC1
InChIInChI=1S/C20H20N6OS2/c1-24-6-8-25(9-7-24)20-21-12-15-18(23-20)26(13-14-4-2-10-28-14)19(27)17(22-15)16-5-3-11-29-16/h2-5,10-12H,6-9,13H2,1H3
InChIKeyRXKZSFOGFFQEPP-UHFFFAOYSA-N
MW424.56 g/mol
LogP2.78
Rot. Bonds4

About 2-(4-methylpiperazin-1-yl)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one

2-(4-methylpiperazin-1-yl)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one (PubChem CID 3235550) has the molecular formula C20H20N6OS2 and a molecular weight of 424.56 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
PubChem CID3235550
Molecular FormulaC20H20N6OS2
Molecular Weight424.56 g/mol
Exact Mass424.11
IUPAC Name2-(4-methylpiperazin-1-yl)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESCN1CCN(c2ncc3nc(-c4cccs4)c(=O)n(Cc4cccs4)c3n2)CC1
InChIInChI=1S/C20H20N6OS2/c1-24-6-8-25(9-7-24)20-21-12-15-18(23-20)26(13-14-4-2-10-28-14)19(27)17(22-15)16-5-3-11-29-16/h2-5,10-12H,6-9,13H2,1H3
InChIKeyRXKZSFOGFFQEPP-UHFFFAOYSA-N
XLogP2.78
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.56
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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CID 5328645
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CID 3232627
CID 3232627
CID 3232700
CID 3232700
CID 3232726
CID 3232726
CID 3232811
CID 3232811
CID 3232935
CID 3232935
CID 3232993
CID 3232993
CID 3232999
CID 3232999
CID 3233067
CID 3233067

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one (CID 3235550) is 2-(4-methylpiperazin-1-yl)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one is CN1CCN(c2ncc3nc(-c4cccs4)c(=O)n(Cc4cccs4)c3n2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The InChIKey is RXKZSFOGFFQEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6OS2/c1-24-6-8-25(9-7-24)20-21-12-15-18(23-20)26(13-14-4-2-10-28-14)19(27)17(22-15)16-5-3-11-29-16/h2-5,10-12H,6-9,13H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one?
2-(4-methylpiperazin-1-yl)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one has a molecular weight of 424.56 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one is sourced from PubChem (CID 3235550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).