6-methyl-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one

C16H18N6OS — CID 3233542

IUPAC6-methyl-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESCc1nc2cnc(N3CCNCC3)nc2n(Cc2cccs2)c1=O
InChIInChI=1S/C16H18N6OS/c1-11-15(23)22(10-12-3-2-8-24-12)14-13(19-11)9-18-16(20-14)21-6-4-17-5-7-21/h2-3,8-9,17H,4-7,10H2,1H3
InChIKeyZEDCVKLTPXQIGC-UHFFFAOYSA-N
MW342.43 g/mol
LogP1.01
Rot. Bonds3

About 6-methyl-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one

6-methyl-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one (PubChem CID 3233542) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is 6-methyl-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one.

Molecular Properties

Compound Name6-methyl-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
PubChem CID3233542
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC Name6-methyl-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESCc1nc2cnc(N3CCNCC3)nc2n(Cc2cccs2)c1=O
InChIInChI=1S/C16H18N6OS/c1-11-15(23)22(10-12-3-2-8-24-12)14-13(19-11)9-18-16(20-14)21-6-4-17-5-7-21/h2-3,8-9,17H,4-7,10H2,1H3
InChIKeyZEDCVKLTPXQIGC-UHFFFAOYSA-N
XLogP1.01
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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
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-(3,6-Dimethyl-pyrazin-2-yl)-piperidine-4-carboxylic acid (1-thiophen-2-yl-ethyl)-amide
CID 646756
5-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 2431997
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 2434569
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

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The IUPAC name of 6-methyl-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one (CID 3233542) is 6-methyl-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one.
What is the SMILES notation for 6-methyl-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The canonical SMILES for 6-methyl-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one is Cc1nc2cnc(N3CCNCC3)nc2n(Cc2cccs2)c1=O.
What is the InChIKey of 6-methyl-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The InChIKey is ZEDCVKLTPXQIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-11-15(23)22(10-12-3-2-8-24-12)14-13(19-11)9-18-16(20-14)21-6-4-17-5-7-21/h2-3,8-9,17H,4-7,10H2,1H3.
What are the key properties of 6-methyl-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one?
6-methyl-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one has a molecular weight of 342.43 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one is sourced from PubChem (CID 3233542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).