2-anilino-8-(thiophen-2-ylmethyl)pteridin-7-one

C17H13N5OS — CID 3235068

IUPAC2-anilino-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESO=c1cnc2cnc(Nc3ccccc3)nc2n1Cc1cccs1
InChIInChI=1S/C17H13N5OS/c23-15-10-18-14-9-19-17(20-12-5-2-1-3-6-12)21-16(14)22(15)11-13-7-4-8-24-13/h1-10H,11H2,(H,19,20,21)
InChIKeyBQGDIRIOAIDOFR-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.04
Rot. Bonds4

About 2-anilino-8-(thiophen-2-ylmethyl)pteridin-7-one

2-anilino-8-(thiophen-2-ylmethyl)pteridin-7-one (PubChem CID 3235068) has the molecular formula C17H13N5OS and a molecular weight of 335.39 g/mol. Its IUPAC name is 2-anilino-8-(thiophen-2-ylmethyl)pteridin-7-one.

Molecular Properties

Compound Name2-anilino-8-(thiophen-2-ylmethyl)pteridin-7-one
PubChem CID3235068
Molecular FormulaC17H13N5OS
Molecular Weight335.39 g/mol
Exact Mass335.08
IUPAC Name2-anilino-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESO=c1cnc2cnc(Nc3ccccc3)nc2n1Cc1cccs1
InChIInChI=1S/C17H13N5OS/c23-15-10-18-14-9-19-17(20-12-5-2-1-3-6-12)21-16(14)22(15)11-13-7-4-8-24-13/h1-10H,11H2,(H,19,20,21)
InChIKeyBQGDIRIOAIDOFR-UHFFFAOYSA-N
XLogP3.04
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-ethyl-2-(phenylamino)-6-(thiophen-3-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328648
N-(3-((5-Iodo-4-((3-((2-thienylcarbonyl)amino)propyl)amino)-2-pyrimidinyl)amino)phenyl)-1-pyrrolidinecarboxamide
CID 10077147
2-(4-methylpiperazin-1-yl)-N-[6-(pyridin-2-yl)-2-(thiophen-2-yl)pyrimidin-4-yl]acetamide
CID 24768405
8-methyl-2-(phenylamino)-6-(thiophen-3-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328638
Pyrido[2,3-d]pyrimidin-7-one deriv. 27
CID 5328640
8-methyl-2-(phenylamino)-6-(thiophen-2-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328645
1-(4-(4-(4-(2,4-Dimethylthiazol-5-yl)pyrimidin-2-ylamino)phenyl)piperazin-1-yl)ethanone
CID 10024433
N-[2-[[2-[4-(4-methylpiperazin-1-yl)anilino]-5-thiophen-2-ylpyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 155415499
4-[(5,8-dimethyl-6-oxo-7-thiophen-2-yl-7H-pteridin-2-yl)amino]benzenesulfonamide
CID 162477931
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
2-(4-Methylpiperazin-1-yl)-8-phenyl-6-thiophen-2-ylpteridin-7-one
CID 3232811

Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-(thiophen-2-ylmethyl)pteridin-7-one?
The IUPAC name of 2-anilino-8-(thiophen-2-ylmethyl)pteridin-7-one (CID 3235068) is 2-anilino-8-(thiophen-2-ylmethyl)pteridin-7-one.
What is the SMILES notation for 2-anilino-8-(thiophen-2-ylmethyl)pteridin-7-one?
The canonical SMILES for 2-anilino-8-(thiophen-2-ylmethyl)pteridin-7-one is O=c1cnc2cnc(Nc3ccccc3)nc2n1Cc1cccs1.
What is the InChIKey of 2-anilino-8-(thiophen-2-ylmethyl)pteridin-7-one?
The InChIKey is BQGDIRIOAIDOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS/c23-15-10-18-14-9-19-17(20-12-5-2-1-3-6-12)21-16(14)22(15)11-13-7-4-8-24-13/h1-10H,11H2,(H,19,20,21).
What are the key properties of 2-anilino-8-(thiophen-2-ylmethyl)pteridin-7-one?
2-anilino-8-(thiophen-2-ylmethyl)pteridin-7-one has a molecular weight of 335.39 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-(thiophen-2-ylmethyl)pteridin-7-one is sourced from PubChem (CID 3235068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).