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

C14H15N5OS — CID 3235142

IUPAC2-(dimethylamino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESCc1nc2cnc(N(C)C)nc2n(Cc2cccs2)c1=O
InChIInChI=1S/C14H15N5OS/c1-9-13(20)19(8-10-5-4-6-21-10)12-11(16-9)7-15-14(17-12)18(2)3/h4-7H,8H2,1-3H3
InChIKeyKIRKYHCRZUYCFV-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.67
Rot. Bonds3

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

2-(dimethylamino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one (PubChem CID 3235142) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 2-(dimethylamino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one.

Molecular Properties

Compound Name2-(dimethylamino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one
PubChem CID3235142
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name2-(dimethylamino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one
SMILESCc1nc2cnc(N(C)C)nc2n(Cc2cccs2)c1=O
InChIInChI=1S/C14H15N5OS/c1-9-13(20)19(8-10-5-4-6-21-10)12-11(16-9)7-15-14(17-12)18(2)3/h4-7H,8H2,1-3H3
InChIKeyKIRKYHCRZUYCFV-UHFFFAOYSA-N
XLogP1.67
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-Pyrimidin-2-ylpiperazinyl 2-thienyl ketone
CID 727062
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
8-(2-Methoxyethyl)-6-thiophen-2-ylpteridin-7-one
CID 3233067
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
2-(Ethylamino)-8-(2-phenylethyl)-6-thiophen-2-ylpteridin-7-one
CID 3233413
2-Methoxy-8-phenyl-6-thiophen-2-ylpteridin-7-one
CID 3233436
2-(Dimethylamino)-6-thiophen-2-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3233482

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The IUPAC name of 2-(dimethylamino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one (CID 3235142) is 2-(dimethylamino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one.
What is the SMILES notation for 2-(dimethylamino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The canonical SMILES for 2-(dimethylamino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one is Cc1nc2cnc(N(C)C)nc2n(Cc2cccs2)c1=O.
What is the InChIKey of 2-(dimethylamino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one?
The InChIKey is KIRKYHCRZUYCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-9-13(20)19(8-10-5-4-6-21-10)12-11(16-9)7-15-14(17-12)18(2)3/h4-7H,8H2,1-3H3.
What are the key properties of 2-(dimethylamino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one?
2-(dimethylamino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one has a molecular weight of 301.38 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one is sourced from PubChem (CID 3235142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).