3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(oxolan-2-ylmethyl)propanamide

C15H20N4O2S — CID 52985519

IUPAC3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1cc2c(NCCC(=O)NCC3CCCO3)ncnc2s1
InChIInChI=1S/C15H20N4O2S/c1-10-7-12-14(18-9-19-15(12)22-10)16-5-4-13(20)17-8-11-3-2-6-21-11/h7,9,11H,2-6,8H2,1H3,(H,17,20)(H,16,18,19)
InChIKeyJZQPXOHPAUXCFO-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.10
Rot. Bonds6

About 3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(oxolan-2-ylmethyl)propanamide

3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 52985519) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is 3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID52985519
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(oxolan-2-ylmethyl)propanamide
SMILESCc1cc2c(NCCC(=O)NCC3CCCO3)ncnc2s1
InChIInChI=1S/C15H20N4O2S/c1-10-7-12-14(18-9-19-15(12)22-10)16-5-4-13(20)17-8-11-3-2-6-21-11/h7,9,11H,2-6,8H2,1H3,(H,17,20)(H,16,18,19)
InChIKeyJZQPXOHPAUXCFO-UHFFFAOYSA-N
XLogP2.10
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 75357573
1-[3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 82032755
3-methyl-2-[3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoylamino]butanoic acid
CID 82032753
N-(1-benzylpiperidin-4-yl)-3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 39085277
N-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]benzamide
CID 133408754
2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 39084793
N-(oxolan-2-ylmethyl)-6-phenylthieno[2,3-d]pyrimidin-4-amine
CID 2952887
3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 54773627
N-(2-aminoethyl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetamide
CID 39161916
3-(tert-butylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 60849170
N-ethyl-5-methyl-4-(oxolan-2-ylmethylamino)thieno[2,3-d]pyrimidine-6-carboxamide
CID 45166790
3-(4-methoxyanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015917

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(oxolan-2-ylmethyl)propanamide (CID 52985519) is 3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(oxolan-2-ylmethyl)propanamide is Cc1cc2c(NCCC(=O)NCC3CCCO3)ncnc2s1.
What is the InChIKey of 3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is JZQPXOHPAUXCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-10-7-12-14(18-9-19-15(12)22-10)16-5-4-13(20)17-8-11-3-2-6-21-11/h7,9,11H,2-6,8H2,1H3,(H,17,20)(H,16,18,19).
What are the key properties of 3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(oxolan-2-ylmethyl)propanamide?
3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 320.42 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 52985519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).