methyl-[[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-(2-morpholin-4-yl-2-oxoethyl)azanium

C19H23N4O3S2+ — CID 8784724

IUPACmethyl-[[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-(2-morpholin-4-yl-2-oxoethyl)azanium
SMILESCc1ccc(-c2csc3nc(C[NH+](C)CC(=O)N4CCOCC4)[nH]c(=O)c23)s1
InChIInChI=1S/C19H22N4O3S2/c1-12-3-4-14(28-12)13-11-27-19-17(13)18(25)20-15(21-19)9-22(2)10-16(24)23-5-7-26-8-6-23/h3-4,11H,5-10H2,1-2H3,(H,20,21,25)/p+1
InChIKeyDBLAAAPSKMFSIT-UHFFFAOYSA-O
MW419.55 g/mol
LogP0.90
Rot. Bonds5

About methyl-[[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-(2-morpholin-4-yl-2-oxoethyl)azanium

methyl-[[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-(2-morpholin-4-yl-2-oxoethyl)azanium (PubChem CID 8784724) has the molecular formula C19H23N4O3S2+ and a molecular weight of 419.55 g/mol. Its IUPAC name is methyl-[[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-(2-morpholin-4-yl-2-oxoethyl)azanium.

Molecular Properties

Compound Namemethyl-[[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-(2-morpholin-4-yl-2-oxoethyl)azanium
PubChem CID8784724
Molecular FormulaC19H23N4O3S2+
Molecular Weight419.55 g/mol
Exact Mass419.12
IUPAC Namemethyl-[[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-(2-morpholin-4-yl-2-oxoethyl)azanium
SMILESCc1ccc(-c2csc3nc(C[NH+](C)CC(=O)N4CCOCC4)[nH]c(=O)c23)s1
InChIInChI=1S/C19H22N4O3S2/c1-12-3-4-14(28-12)13-11-27-19-17(13)18(25)20-15(21-19)9-22(2)10-16(24)23-5-7-26-8-6-23/h3-4,11H,5-10H2,1-2H3,(H,20,21,25)/p+1
InChIKeyDBLAAAPSKMFSIT-UHFFFAOYSA-O
XLogP0.90
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 8784528
2-(azocan-1-ylmethyl)-5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 8784587
2-(chloromethyl)-5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 4962319
2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 8784534
5-(5-methylthiophen-2-yl)-2-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 55535753
methyl-[[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
CID 8784592
5-(5-methylthiophen-2-yl)-2-(phenoxymethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 60528151
5-(5-methylthiophen-2-yl)-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 8784675
2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 40915156
2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 24623048
5-(5-methylthiophen-2-yl)-2-(thieno[3,2-d]pyrimidin-4-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 24559064
N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]acetamide
CID 167873148

Frequently Asked Questions

What is the IUPAC name of methyl-[[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-(2-morpholin-4-yl-2-oxoethyl)azanium?
The IUPAC name of methyl-[[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-(2-morpholin-4-yl-2-oxoethyl)azanium (CID 8784724) is methyl-[[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-(2-morpholin-4-yl-2-oxoethyl)azanium.
What is the SMILES notation for methyl-[[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-(2-morpholin-4-yl-2-oxoethyl)azanium?
The canonical SMILES for methyl-[[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-(2-morpholin-4-yl-2-oxoethyl)azanium is Cc1ccc(-c2csc3nc(C[NH+](C)CC(=O)N4CCOCC4)[nH]c(=O)c23)s1.
What is the InChIKey of methyl-[[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-(2-morpholin-4-yl-2-oxoethyl)azanium?
The InChIKey is DBLAAAPSKMFSIT-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H22N4O3S2/c1-12-3-4-14(28-12)13-11-27-19-17(13)18(25)20-15(21-19)9-22(2)10-16(24)23-5-7-26-8-6-23/h3-4,11H,5-10H2,1-2H3,(H,20,21,25)/p+1.
What are the key properties of methyl-[[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-(2-morpholin-4-yl-2-oxoethyl)azanium?
methyl-[[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-(2-morpholin-4-yl-2-oxoethyl)azanium has a molecular weight of 419.55 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[[5-(5-methylthiophen-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]-(2-morpholin-4-yl-2-oxoethyl)azanium is sourced from PubChem (CID 8784724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).