N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C17H21N5O2S — CID 92614664

IUPACN-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCc1cc2c(=O)n(CC(=O)N[C@H](C)c3cn(C)nc3C)cnc2s1
InChIInChI=1S/C17H21N5O2S/c1-5-12-6-13-16(25-12)18-9-22(17(13)24)8-15(23)19-10(2)14-7-21(4)20-11(14)3/h6-7,9-10H,5,8H2,1-4H3,(H,19,23)/t10-/m1/s1
InChIKeyBKSJRWJUOYFFGE-SNVBAGLBSA-N
MW359.46 g/mol
LogP1.94
Rot. Bonds5

About N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 92614664) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID92614664
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC NameN-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCCc1cc2c(=O)n(CC(=O)N[C@H](C)c3cn(C)nc3C)cnc2s1
InChIInChI=1S/C17H21N5O2S/c1-5-12-6-13-16(25-12)18-9-22(17(13)24)8-15(23)19-10(2)14-7-21(4)20-11(14)3/h6-7,9-10H,5,8H2,1-4H3,(H,19,23)/t10-/m1/s1
InChIKeyBKSJRWJUOYFFGE-SNVBAGLBSA-N
XLogP1.94
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18203142
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 18203087
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 78814974
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 18203072
N-(2-bicyclo[1.1.1]pentanyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 164798854
N-benzyl-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 733717
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 35380372
N-[(3,4-dimethylphenyl)carbamoyl]-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 33086255
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 18203223
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 18203122
7-[2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1,3-dimethylpurine-2,6-dione
CID 42885758
tert-butyl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
CID 35380437

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 92614664) is N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is CCc1cc2c(=O)n(CC(=O)N[C@H](C)c3cn(C)nc3C)cnc2s1.
What is the InChIKey of N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is BKSJRWJUOYFFGE-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-5-12-6-13-16(25-12)18-9-22(17(13)24)8-15(23)19-10(2)14-7-21(4)20-11(14)3/h6-7,9-10H,5,8H2,1-4H3,(H,19,23)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 359.46 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 92614664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).