3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidine-2,4-dione

C11H10N4O2S — CID 164549992

IUPAC3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCn1cc(Cn2c(=O)[nH]c3sccc3c2=O)cn1
InChIInChI=1S/C11H10N4O2S/c1-14-5-7(4-12-14)6-15-10(16)8-2-3-18-9(8)13-11(15)17/h2-5H,6H2,1H3,(H,13,17)
InChIKeyDGXNRKPQNABPFA-UHFFFAOYSA-N
MW262.29 g/mol
LogP0.53
Rot. Bonds2

About 3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidine-2,4-dione

3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 164549992) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID164549992
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC Name3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidine-2,4-dione
SMILESCn1cc(Cn2c(=O)[nH]c3sccc3c2=O)cn1
InChIInChI=1S/C11H10N4O2S/c1-14-5-7(4-12-14)6-15-10(16)8-2-3-18-9(8)13-11(15)17/h2-5H,6H2,1H3,(H,13,17)
InChIKeyDGXNRKPQNABPFA-UHFFFAOYSA-N
XLogP0.53
TPSA72.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidine-2,4-dione (CID 164549992) is 3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidine-2,4-dione is Cn1cc(Cn2c(=O)[nH]c3sccc3c2=O)cn1.
What is the InChIKey of 3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is DGXNRKPQNABPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c1-14-5-7(4-12-14)6-15-10(16)8-2-3-18-9(8)13-11(15)17/h2-5H,6H2,1H3,(H,13,17).
What are the key properties of 3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidine-2,4-dione?
3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 262.29 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazol-4-yl)methyl]-1H-thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 164549992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).