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

C15H20N4O2S — CID 75357573

IUPAC2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1sc2ncnc(NCC(=O)NCC3CCCO3)c2c1C
InChIInChI=1S/C15H20N4O2S/c1-9-10(2)22-15-13(9)14(18-8-19-15)17-7-12(20)16-6-11-4-3-5-21-11/h8,11H,3-7H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyBZWRGKQMDTXYSZ-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.02
Rot. Bonds5

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

2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 75357573) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID75357573
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1sc2ncnc(NCC(=O)NCC3CCCO3)c2c1C
InChIInChI=1S/C15H20N4O2S/c1-9-10(2)22-15-13(9)14(18-8-19-15)17-7-12(20)16-6-11-4-3-5-21-11/h8,11H,3-7H2,1-2H3,(H,16,20)(H,17,18,19)
InChIKeyBZWRGKQMDTXYSZ-UHFFFAOYSA-N
XLogP2.02
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45166790
N-(2-aminoethyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39162325
5-methyl-N-(3-methylbutyl)-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45225857
N,5-dimethyl-N-(2-methylpropyl)-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45217474
[5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidin-6-yl]-morpholin-4-ylmethanone
CID 45251545
N-ethyl-5-methyl-N-(2-methylprop-2-enyl)-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45235968
3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(oxolan-2-ylmethyl)propanamide
CID 52985519
5-methyl-4-(oxolan-2-ylmethylamino)-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45229234
5-methyl-4-[[(2S)-oxolan-2-yl]methylamino]-N-(2-phenylethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 25294833
N-benzyl-N,5-dimethyl-4-[[(2R)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidine-6-carboxamide
CID 42418902
4-[(2-methoxyphenyl)methylamino]-5-methyl-N-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45215842
[4-(hydroxymethyl)piperidin-1-yl]-[5-methyl-4-[[(2S)-oxolan-2-yl]methylamino]thieno[2,3-d]pyrimidin-6-yl]methanone
CID 25292209

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(oxolan-2-ylmethyl)acetamide (CID 75357573) is 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(oxolan-2-ylmethyl)acetamide is Cc1sc2ncnc(NCC(=O)NCC3CCCO3)c2c1C.
What is the InChIKey of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is BZWRGKQMDTXYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-9-10(2)22-15-13(9)14(18-8-19-15)17-7-12(20)16-6-11-4-3-5-21-11/h8,11H,3-7H2,1-2H3,(H,16,20)(H,17,18,19).
What are the key properties of 2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(oxolan-2-ylmethyl)acetamide?
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 320.42 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 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)amino]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 75357573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).