6-[(1S)-2-methylcyclopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione

C10H10N2O2S — CID 149193919

IUPAC6-[(1S)-2-methylcyclopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCC1C[C@@H]1c1cc2[nH]c(=O)[nH]c(=O)c2s1
InChIInChI=1S/C10H10N2O2S/c1-4-2-5(4)7-3-6-8(15-7)9(13)12-10(14)11-6/h3-5H,2H2,1H3,(H2,11,12,13,14)/t4?,5-/m0/s1
InChIKeyXDJIYRGGYWQYGX-AKGZTFGVSA-N
MW222.27 g/mol
LogP1.40
Rot. Bonds1

About 6-[(1S)-2-methylcyclopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione

6-[(1S)-2-methylcyclopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 149193919) has the molecular formula C10H10N2O2S and a molecular weight of 222.27 g/mol. Its IUPAC name is 6-[(1S)-2-methylcyclopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(1S)-2-methylcyclopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID149193919
Molecular FormulaC10H10N2O2S
Molecular Weight222.27 g/mol
Exact Mass222.05
IUPAC Name6-[(1S)-2-methylcyclopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCC1C[C@@H]1c1cc2[nH]c(=O)[nH]c(=O)c2s1
InChIInChI=1S/C10H10N2O2S/c1-4-2-5(4)7-3-6-8(15-7)9(13)12-10(14)11-6/h3-5H,2H2,1H3,(H2,11,12,13,14)/t4?,5-/m0/s1
InChIKeyXDJIYRGGYWQYGX-AKGZTFGVSA-N
XLogP1.40
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-2-methylcyclopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[(1S)-2-methylcyclopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione (CID 149193919) is 6-[(1S)-2-methylcyclopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(1S)-2-methylcyclopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[(1S)-2-methylcyclopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione is CC1C[C@@H]1c1cc2[nH]c(=O)[nH]c(=O)c2s1.
What is the InChIKey of 6-[(1S)-2-methylcyclopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is XDJIYRGGYWQYGX-AKGZTFGVSA-N. The full InChI is InChI=1S/C10H10N2O2S/c1-4-2-5(4)7-3-6-8(15-7)9(13)12-10(14)11-6/h3-5H,2H2,1H3,(H2,11,12,13,14)/t4?,5-/m0/s1.
What are the key properties of 6-[(1S)-2-methylcyclopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione?
6-[(1S)-2-methylcyclopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 222.27 g/mol, XLogP of 1.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-2-methylcyclopropyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 149193919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).