1,5,6-trimethyl-3-[(1S,2S)-2-methylcyclopropyl]thieno[2,3-d]pyrimidine-2,4-dione

C13H16N2O2S — CID 134384965

IUPAC1,5,6-trimethyl-3-[(1S,2S)-2-methylcyclopropyl]thieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1sc2c(c1C)c(=O)n([C@H]1C[C@@H]1C)c(=O)n2C
InChIInChI=1S/C13H16N2O2S/c1-6-5-9(6)15-11(16)10-7(2)8(3)18-12(10)14(4)13(15)17/h6,9H,5H2,1-4H3/t6-,9-/m0/s1
InChIKeyZHRWOEIXIKSENA-RCOVLWMOSA-N
MW264.35 g/mol
LogP1.96
Rot. Bonds1

About 1,5,6-trimethyl-3-[(1S,2S)-2-methylcyclopropyl]thieno[2,3-d]pyrimidine-2,4-dione

1,5,6-trimethyl-3-[(1S,2S)-2-methylcyclopropyl]thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 134384965) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 1,5,6-trimethyl-3-[(1S,2S)-2-methylcyclopropyl]thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,5,6-trimethyl-3-[(1S,2S)-2-methylcyclopropyl]thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID134384965
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name1,5,6-trimethyl-3-[(1S,2S)-2-methylcyclopropyl]thieno[2,3-d]pyrimidine-2,4-dione
SMILESCc1sc2c(c1C)c(=O)n([C@H]1C[C@@H]1C)c(=O)n2C
InChIInChI=1S/C13H16N2O2S/c1-6-5-9(6)15-11(16)10-7(2)8(3)18-12(10)14(4)13(15)17/h6,9H,5H2,1-4H3/t6-,9-/m0/s1
InChIKeyZHRWOEIXIKSENA-RCOVLWMOSA-N
XLogP1.96
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5,6-trimethyl-3-[(1S,2S)-2-methylcyclopropyl]thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,5,6-trimethyl-3-[(1S,2S)-2-methylcyclopropyl]thieno[2,3-d]pyrimidine-2,4-dione (CID 134384965) is 1,5,6-trimethyl-3-[(1S,2S)-2-methylcyclopropyl]thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,5,6-trimethyl-3-[(1S,2S)-2-methylcyclopropyl]thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,5,6-trimethyl-3-[(1S,2S)-2-methylcyclopropyl]thieno[2,3-d]pyrimidine-2,4-dione is Cc1sc2c(c1C)c(=O)n([C@H]1C[C@@H]1C)c(=O)n2C.
What is the InChIKey of 1,5,6-trimethyl-3-[(1S,2S)-2-methylcyclopropyl]thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ZHRWOEIXIKSENA-RCOVLWMOSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-6-5-9(6)15-11(16)10-7(2)8(3)18-12(10)14(4)13(15)17/h6,9H,5H2,1-4H3/t6-,9-/m0/s1.
What are the key properties of 1,5,6-trimethyl-3-[(1S,2S)-2-methylcyclopropyl]thieno[2,3-d]pyrimidine-2,4-dione?
1,5,6-trimethyl-3-[(1S,2S)-2-methylcyclopropyl]thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 264.35 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6-trimethyl-3-[(1S,2S)-2-methylcyclopropyl]thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 134384965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).