2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C25H23N3O2S — CID 40846792

IUPAC2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1sc2ncn(CC(=O)N[C@H]3CCCc4ccccc43)c(=O)c2c1-c1ccccc1
InChIInChI=1S/C25H23N3O2S/c1-16-22(18-9-3-2-4-10-18)23-24(31-16)26-15-28(25(23)30)14-21(29)27-20-13-7-11-17-8-5-6-12-19(17)20/h2-6,8-10,12,15,20H,7,11,13-14H2,1H3,(H,27,29)/t20-/m0/s1
InChIKeyXMXNOIZHPVQMFL-FQEVSTJZSA-N
MW429.55 g/mol
LogP4.63
Rot. Bonds4

About 2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 40846792) has the molecular formula C25H23N3O2S and a molecular weight of 429.55 g/mol. Its IUPAC name is 2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID40846792
Molecular FormulaC25H23N3O2S
Molecular Weight429.55 g/mol
Exact Mass429.15
IUPAC Name2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESCc1sc2ncn(CC(=O)N[C@H]3CCCc4ccccc43)c(=O)c2c1-c1ccccc1
InChIInChI=1S/C25H23N3O2S/c1-16-22(18-9-3-2-4-10-18)23-24(31-16)26-15-28(25(23)30)14-21(29)27-20-13-7-11-17-8-5-6-12-19(17)20/h2-6,8-10,12,15,20H,7,11,13-14H2,1H3,(H,27,29)/t20-/m0/s1
InChIKeyXMXNOIZHPVQMFL-FQEVSTJZSA-N
XLogP4.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 41215663
N-cyclopentyl-2-[5-(4-fluorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 7749205
2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(propan-2-ylcarbamoyl)acetamide
CID 7456738
2-[7-(4-chlorophenyl)-5,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 92707123
2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide
CID 7732059
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 3854113
2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide
CID 1193253
2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-prop-2-enylacetamide
CID 35792847
N-(1-cyanocyclohexyl)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7560977
2-(benzimidazol-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40512092
N-(4-fluorophenyl)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 2792734
6-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 7456771

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 40846792) is 2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is Cc1sc2ncn(CC(=O)N[C@H]3CCCc4ccccc43)c(=O)c2c1-c1ccccc1.
What is the InChIKey of 2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is XMXNOIZHPVQMFL-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H23N3O2S/c1-16-22(18-9-3-2-4-10-18)23-24(31-16)26-15-28(25(23)30)14-21(29)27-20-13-7-11-17-8-5-6-12-19(17)20/h2-6,8-10,12,15,20H,7,11,13-14H2,1H3,(H,27,29)/t20-/m0/s1.
What are the key properties of 2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 429.55 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 40846792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).