6-acetyl-5-amino-1-[[(2R)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidine-2,4-dione

C13H15N3O4S — CID 2444983

IUPAC6-acetyl-5-amino-1-[[(2R)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidine-2,4-dione
SMILESCC(=O)c1sc2c(c1N)c(=O)[nH]c(=O)n2C[C@H]1CCCO1
InChIInChI=1S/C13H15N3O4S/c1-6(17)10-9(14)8-11(18)15-13(19)16(12(8)21-10)5-7-3-2-4-20-7/h7H,2-5,14H2,1H3,(H,15,18,19)/t7-/m1/s1
InChIKeyBQKXKPGYARMNRU-SSDOTTSWSA-N
MW309.35 g/mol
LogP0.72
Rot. Bonds3

About 6-acetyl-5-amino-1-[[(2R)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidine-2,4-dione

6-acetyl-5-amino-1-[[(2R)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 2444983) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 6-acetyl-5-amino-1-[[(2R)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-acetyl-5-amino-1-[[(2R)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID2444983
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name6-acetyl-5-amino-1-[[(2R)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidine-2,4-dione
SMILESCC(=O)c1sc2c(c1N)c(=O)[nH]c(=O)n2C[C@H]1CCCO1
InChIInChI=1S/C13H15N3O4S/c1-6(17)10-9(14)8-11(18)15-13(19)16(12(8)21-10)5-7-3-2-4-20-7/h7H,2-5,14H2,1H3,(H,15,18,19)/t7-/m1/s1
InChIKeyBQKXKPGYARMNRU-SSDOTTSWSA-N
XLogP0.72
TPSA107.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-acetyl-5-amino-1-[[(2R)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

5-amino-6-(2,2-dimethylpropanoyl)-1-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 4848462
5-amino-1-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-dione
CID 165479640
5-amino-6-(4-cyclohexylbenzoyl)-1-(3-methoxypropyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 2086909
3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]sulfanyl-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-5-one
CID 51196256
5-acetyl-4-amino-2-(oxolan-2-ylmethylamino)thiophene-3-carbonitrile
CID 103426505
3-amino-4,6-dimethyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 82466705
7-(2-hydroxy-4-methoxyphenyl)-1-(oxolan-2-ylmethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 146048803
3-amino-4,5,6-trimethyl-N-(oxolan-2-ylmethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23997927
[carbamoyl-[[5-methyl-2,4-dioxo-1-(oxolan-2-ylmethyl)-3-propan-2-ylthieno[2,3-d]pyrimidin-6-yl]methyl]amino]carbamic acid
CID 134305389
(2R)-2-[[5-oxo-4-[[(2R)-oxolan-2-yl]methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 9376133
3-acetyl-1-(oxolan-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522716
3-amino-4,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 716899

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-5-amino-1-[[(2R)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-acetyl-5-amino-1-[[(2R)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidine-2,4-dione (CID 2444983) is 6-acetyl-5-amino-1-[[(2R)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-acetyl-5-amino-1-[[(2R)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-acetyl-5-amino-1-[[(2R)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidine-2,4-dione is CC(=O)c1sc2c(c1N)c(=O)[nH]c(=O)n2C[C@H]1CCCO1.
What is the InChIKey of 6-acetyl-5-amino-1-[[(2R)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is BQKXKPGYARMNRU-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-6(17)10-9(14)8-11(18)15-13(19)16(12(8)21-10)5-7-3-2-4-20-7/h7H,2-5,14H2,1H3,(H,15,18,19)/t7-/m1/s1.
What are the key properties of 6-acetyl-5-amino-1-[[(2R)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidine-2,4-dione?
6-acetyl-5-amino-1-[[(2R)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 309.35 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-5-amino-1-[[(2R)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 2444983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).