2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methylbutyl)acetamide

C15H21N3O2S — CID 2705603

IUPAC2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methylbutyl)acetamide
SMILESCc1sc2ncnc(OCC(=O)NCCC(C)C)c2c1C
InChIInChI=1S/C15H21N3O2S/c1-9(2)5-6-16-12(19)7-20-14-13-10(3)11(4)21-15(13)18-8-17-14/h8-9H,5-7H2,1-4H3,(H,16,19)
InChIKeyADBDPYNEXMBXCD-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.85
Rot. Bonds6

About 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methylbutyl)acetamide

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methylbutyl)acetamide (PubChem CID 2705603) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methylbutyl)acetamide
PubChem CID2705603
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methylbutyl)acetamide
SMILESCc1sc2ncnc(OCC(=O)NCCC(C)C)c2c1C
InChIInChI=1S/C15H21N3O2S/c1-9(2)5-6-16-12(19)7-20-14-13-10(3)11(4)21-15(13)18-8-17-14/h8-9H,5-7H2,1-4H3,(H,16,19)
InChIKeyADBDPYNEXMBXCD-UHFFFAOYSA-N
XLogP2.85
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(2-methylpropyl)acetamide
CID 2477330
N-[(4-chlorophenyl)methyl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
CID 2484160
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-phenylacetamide
CID 2528122
[2-(3-methylbutylamino)-2-oxoethyl] 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
CID 7904983
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
CID 55355901
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(1,1-dioxothiolan-3-yl)acetamide
CID 3995796
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 2467042
[2-(3-methylbutylamino)-2-oxoethyl] 2-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 7742618
N-(2-aminoethyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39162325
3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylpropanamide
CID 115578504
4-(ethylamino)-5-methyl-N-(3-methylbutyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 25294318
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methylpropyl)acetamide
CID 1412618

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methylbutyl)acetamide (CID 2705603) is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methylbutyl)acetamide is Cc1sc2ncnc(OCC(=O)NCCC(C)C)c2c1C.
What is the InChIKey of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methylbutyl)acetamide?
The InChIKey is ADBDPYNEXMBXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-9(2)5-6-16-12(19)7-20-14-13-10(3)11(4)21-15(13)18-8-17-14/h8-9H,5-7H2,1-4H3,(H,16,19).
What are the key properties of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methylbutyl)acetamide?
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methylbutyl)acetamide has a molecular weight of 307.42 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 2705603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).