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

C15H19N3O3S — CID 2997987

IUPAC2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1sc2ncnc(OCC(=O)NCC3CCCO3)c2c1C
InChIInChI=1S/C15H19N3O3S/c1-9-10(2)22-15-13(9)14(17-8-18-15)21-7-12(19)16-6-11-4-3-5-20-11/h8,11H,3-7H2,1-2H3,(H,16,19)
InChIKeyVWUBSQPVKLQNKP-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.98
Rot. Bonds5

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

2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 2997987) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(oxolan-2-ylmethyl)acetamide
PubChem CID2997987
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1sc2ncnc(OCC(=O)NCC3CCCO3)c2c1C
InChIInChI=1S/C15H19N3O3S/c1-9-10(2)22-15-13(9)14(17-8-18-15)21-7-12(19)16-6-11-4-3-5-20-11/h8,11H,3-7H2,1-2H3,(H,16,19)
InChIKeyVWUBSQPVKLQNKP-UHFFFAOYSA-N
XLogP1.98
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 2117377
2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-(2-methoxyethyl)acetamide
CID 2161555
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-propan-2-ylacetamide
CID 2484145
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methoxyphenyl)acetamide
CID 2553837
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]-N-(tetrahydro-2-furanylmethyl)acetamide
CID 3146230
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-propylacetamide
CID 2512072
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-methylacetamide
CID 2085647
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(thiophen-2-ylmethyl)acetamide
CID 2388600
2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy-N-methylacetamide
CID 2408452
N-(2-methylcyclohexyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yloxy)acetamide
CID 3486573
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(3-methylbutan-2-yl)acetamide
CID 4876202

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(oxolan-2-ylmethyl)acetamide (CID 2997987) is 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(oxolan-2-ylmethyl)acetamide is Cc1sc2ncnc(OCC(=O)NCC3CCCO3)c2c1C.
What is the InChIKey of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is VWUBSQPVKLQNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-9-10(2)22-15-13(9)14(17-8-18-15)21-7-12(19)16-6-11-4-3-5-20-11/h8,11H,3-7H2,1-2H3,(H,16,19).
What are the key properties of 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(oxolan-2-ylmethyl)acetamide?
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 321.40 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 2997987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).