6-amino-5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione

C11H16N4O5S — CID 60661650

IUPAC6-amino-5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(NC2C=CS(=O)(=O)C2)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N4O5S/c1-20-4-3-15-9(12)8(10(16)14-11(15)17)13-7-2-5-21(18,19)6-7/h2,5,7,13H,3-4,6,12H2,1H3,(H,14,16,17)
InChIKeyXXTXRZQVUGJZER-UHFFFAOYSA-N
MW316.34 g/mol
LogP-1.51
Rot. Bonds5

About 6-amino-5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione

6-amino-5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione (PubChem CID 60661650) has the molecular formula C11H16N4O5S and a molecular weight of 316.34 g/mol. Its IUPAC name is 6-amino-5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
PubChem CID60661650
Molecular FormulaC11H16N4O5S
Molecular Weight316.34 g/mol
Exact Mass316.08
IUPAC Name6-amino-5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
SMILESCOCCn1c(N)c(NC2C=CS(=O)(=O)C2)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N4O5S/c1-20-4-3-15-9(12)8(10(16)14-11(15)17)13-7-2-5-21(18,19)6-7/h2,5,7,13H,3-4,6,12H2,1H3,(H,14,16,17)
InChIKeyXXTXRZQVUGJZER-UHFFFAOYSA-N
XLogP-1.51
TPSA136.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-amino-5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione with MolForge

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Related Compounds

6-amino-1-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyrimidine-2,4-dione
CID 106192155
6-amino-1-(2-methoxyethyl)-5-(2-propan-2-yloxyethylamino)pyrimidine-2,4-dione
CID 104762438
6-amino-1-(2-methoxyethyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione
CID 106214870
6-amino-5-(hexylamino)-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 60649236
6-amino-5-bromo-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 2389933
6-amino-5-[3-(hydroxymethyl)pentan-3-ylamino]-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 62517996
6-amino-1-(2-methoxyethyl)-5-[(5-methylfuran-2-yl)methylamino]pyrimidine-2,4-dione
CID 62525076
6-amino-1-butyl-5-(thian-4-ylamino)pyrimidine-2,4-dione
CID 115599961
6-amino-1-butyl-5-(3-methoxypropylamino)pyrimidine-2,4-dione
CID 60649021
6-amino-5-(4-methoxybutylamino)-1-propylpyrimidine-2,4-dione
CID 60964818
6-amino-5-(1-methoxypropan-2-ylamino)-1-propylpyrimidine-2,4-dione
CID 60649217
6-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 102959382

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione (CID 60661650) is 6-amino-5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione is COCCn1c(N)c(NC2C=CS(=O)(=O)C2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
The InChIKey is XXTXRZQVUGJZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5S/c1-20-4-3-15-9(12)8(10(16)14-11(15)17)13-7-2-5-21(18,19)6-7/h2,5,7,13H,3-4,6,12H2,1H3,(H,14,16,17).
What are the key properties of 6-amino-5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione?
6-amino-5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione has a molecular weight of 316.34 g/mol, XLogP of -1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]-1-(2-methoxyethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 60661650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).