2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide

C15H21N4O3S+ — CID 3649161

IUPAC2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
SMILESCc1cc2c(=O)n(CC(=O)NCC[NH+]3CCOCC3)cnc2s1
InChIInChI=1S/C15H20N4O3S/c1-11-8-12-14(23-11)17-10-19(15(12)21)9-13(20)16-2-3-18-4-6-22-7-5-18/h8,10H,2-7,9H2,1H3,(H,16,20)/p+1
InChIKeyCFVDEFVKZPXCTQ-UHFFFAOYSA-O
MW337.43 g/mol
LogP-1.20
Rot. Bonds5

About 2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide

2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide (PubChem CID 3649161) has the molecular formula C15H21N4O3S+ and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
PubChem CID3649161
Molecular FormulaC15H21N4O3S+
Molecular Weight337.43 g/mol
Exact Mass337.13
IUPAC Name2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
SMILESCc1cc2c(=O)n(CC(=O)NCC[NH+]3CCOCC3)cnc2s1
InChIInChI=1S/C15H20N4O3S/c1-11-8-12-14(23-11)17-10-19(15(12)21)9-13(20)16-2-3-18-4-6-22-7-5-18/h8,10H,2-7,9H2,1H3,(H,16,20)/p+1
InChIKeyCFVDEFVKZPXCTQ-UHFFFAOYSA-O
XLogP-1.20
TPSA77.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid
CID 39164887
N-(5-methyl-1,2-oxazol-3-yl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23963812
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 126479918
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 4112311
2-methyl-2-[[2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid
CID 39164915
3-[2-(4-ethylpiperazin-4-ium-1-yl)-2-oxoethyl]-6-methylthieno[2,3-d]pyrimidin-4-one
CID 3649165
3-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one
CID 118280400
N-(3,4-dimethoxyphenyl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 4055518
3-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methylthieno[2,3-d]pyrimidin-4-one
CID 92715236
3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methylthieno[2,3-d]pyrimidin-4-one
CID 92715237
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]acetamide
CID 20970736
2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 18203072

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide?
The IUPAC name of 2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide (CID 3649161) is 2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide.
What is the SMILES notation for 2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide?
The canonical SMILES for 2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide is Cc1cc2c(=O)n(CC(=O)NCC[NH+]3CCOCC3)cnc2s1.
What is the InChIKey of 2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide?
The InChIKey is CFVDEFVKZPXCTQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H20N4O3S/c1-11-8-12-14(23-11)17-10-19(15(12)21)9-13(20)16-2-3-18-4-6-22-7-5-18/h8,10H,2-7,9H2,1H3,(H,16,20)/p+1.
What are the key properties of 2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide?
2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide has a molecular weight of 337.43 g/mol, XLogP of -1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide is sourced from PubChem (CID 3649161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).