2-(dimethylamino)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one

C17H15N5OS2 — CID 3233482

IUPAC2-(dimethylamino)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESCN(C)c1ncc2nc(-c3cccs3)c(=O)n(Cc3cccs3)c2n1
InChIInChI=1S/C17H15N5OS2/c1-21(2)17-18-9-12-15(20-17)22(10-11-5-3-7-24-11)16(23)14(19-12)13-6-4-8-25-13/h3-9H,10H2,1-2H3
InChIKeyPDUWSHZAWJVOTQ-UHFFFAOYSA-N
MW369.48 g/mol
LogP3.09
Rot. Bonds4

About 2-(dimethylamino)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one

2-(dimethylamino)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one (PubChem CID 3233482) has the molecular formula C17H15N5OS2 and a molecular weight of 369.48 g/mol. Its IUPAC name is 2-(dimethylamino)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one.

Molecular Properties

Compound Name2-(dimethylamino)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
PubChem CID3233482
Molecular FormulaC17H15N5OS2
Molecular Weight369.48 g/mol
Exact Mass369.07
IUPAC Name2-(dimethylamino)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESCN(C)c1ncc2nc(-c3cccs3)c(=O)n(Cc3cccs3)c2n1
InChIInChI=1S/C17H15N5OS2/c1-21(2)17-18-9-12-15(20-17)22(10-11-5-3-7-24-11)16(23)14(19-12)13-6-4-8-25-13/h3-9H,10H2,1-2H3
InChIKeyPDUWSHZAWJVOTQ-UHFFFAOYSA-N
XLogP3.09
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

8-methyl-2-(phenylamino)-6-(thiophen-3-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328638
8-methyl-2-(phenylamino)-6-(thiophen-2-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328645
8-Phenyl-6-thiophen-2-ylpteridin-7-one
CID 3232627
3-[2-(4-Methylpiperazin-1-yl)-7-oxo-6-thiophen-2-ylpteridin-8-yl]propanenitrile
CID 3232700
3-(2-Morpholin-4-yl-7-oxo-6-thiophen-2-ylpteridin-8-yl)propanenitrile
CID 3232726
2-(4-Methylpiperazin-1-yl)-8-phenyl-6-thiophen-2-ylpteridin-7-one
CID 3232811
2-(Ethylamino)-8-phenyl-6-thiophen-2-ylpteridin-7-one
CID 3232935
6-(4-Chlorophenyl)-2-(dimethylamino)-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3232999
8-(2-Methoxyethyl)-6-thiophen-2-ylpteridin-7-one
CID 3233067
6-(3,5-Difluorophenyl)-2-(ethylamino)-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3233096
2-Piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3233205
6-(4-Fluorophenyl)-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3233264

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The IUPAC name of 2-(dimethylamino)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one (CID 3233482) is 2-(dimethylamino)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one.
What is the SMILES notation for 2-(dimethylamino)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The canonical SMILES for 2-(dimethylamino)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one is CN(C)c1ncc2nc(-c3cccs3)c(=O)n(Cc3cccs3)c2n1.
What is the InChIKey of 2-(dimethylamino)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The InChIKey is PDUWSHZAWJVOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS2/c1-21(2)17-18-9-12-15(20-17)22(10-11-5-3-7-24-11)16(23)14(19-12)13-6-4-8-25-13/h3-9H,10H2,1-2H3.
What are the key properties of 2-(dimethylamino)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one?
2-(dimethylamino)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one has a molecular weight of 369.48 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one is sourced from PubChem (CID 3233482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).