N-(2-methylpropyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

C15H21N3O2S — CID 23410676

IUPACN-(2-methylpropyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1sc2nc(C)n(CC(=O)NCC(C)C)c(=O)c2c1C
InChIInChI=1S/C15H21N3O2S/c1-8(2)6-16-12(19)7-18-11(5)17-14-13(15(18)20)9(3)10(4)21-14/h8H,6-7H2,1-5H3,(H,16,19)
InChIKeyRTSAIXYPTSEIJC-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.16
Rot. Bonds4

About N-(2-methylpropyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide

N-(2-methylpropyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 23410676) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID23410676
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(2-methylpropyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1sc2nc(C)n(CC(=O)NCC(C)C)c(=O)c2c1C
InChIInChI=1S/C15H21N3O2S/c1-8(2)6-16-12(19)7-18-11(5)17-14-13(15(18)20)9(3)10(4)21-14/h8H,6-7H2,1-5H3,(H,16,19)
InChIKeyRTSAIXYPTSEIJC-UHFFFAOYSA-N
XLogP2.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 28528656
N-(furan-2-ylmethyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23410275
N-(2-methyl-6-propan-2-ylphenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23410218
N-(4-tert-butylphenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23410121
N-(2,3-dimethylphenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23409147
N,N-diethyl-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23410608
2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide
CID 2491923
N-(4-cyanophenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 39159271
2-(2-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-methylpropyl)acetamide
CID 23410675
N-(2-cyanophenyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 39159273
2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-(2-methylpropyl)acetamide
CID 66339829
N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-3-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 100906669

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(2-methylpropyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide (CID 23410676) is N-(2-methylpropyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is Cc1sc2nc(C)n(CC(=O)NCC(C)C)c(=O)c2c1C.
What is the InChIKey of N-(2-methylpropyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is RTSAIXYPTSEIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-8(2)6-16-12(19)7-18-11(5)17-14-13(15(18)20)9(3)10(4)21-14/h8H,6-7H2,1-5H3,(H,16,19).
What are the key properties of N-(2-methylpropyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide?
N-(2-methylpropyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 307.42 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(2,5,6-trimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 23410676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).