3-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrimidine-2,4-dione

C12H14N2O2S — CID 63810768

IUPAC3-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrimidine-2,4-dione
SMILESCCc1ccc(Cn2c(=O)ccn(C)c2=O)s1
InChIInChI=1S/C12H14N2O2S/c1-3-9-4-5-10(17-9)8-14-11(15)6-7-13(2)12(14)16/h4-7H,3,8H2,1-2H3
InChIKeySHZYQZONSATCOW-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.22
Rot. Bonds3

About 3-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrimidine-2,4-dione

3-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrimidine-2,4-dione (PubChem CID 63810768) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrimidine-2,4-dione
PubChem CID63810768
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name3-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrimidine-2,4-dione
SMILESCCc1ccc(Cn2c(=O)ccn(C)c2=O)s1
InChIInChI=1S/C12H14N2O2S/c1-3-9-4-5-10(17-9)8-14-11(15)6-7-13(2)12(14)16/h4-7H,3,8H2,1-2H3
InChIKeySHZYQZONSATCOW-UHFFFAOYSA-N
XLogP1.22
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrimidine-2,4-dione (CID 63810768) is 3-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrimidine-2,4-dione is CCc1ccc(Cn2c(=O)ccn(C)c2=O)s1.
What is the InChIKey of 3-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrimidine-2,4-dione?
The InChIKey is SHZYQZONSATCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-3-9-4-5-10(17-9)8-14-11(15)6-7-13(2)12(14)16/h4-7H,3,8H2,1-2H3.
What are the key properties of 3-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrimidine-2,4-dione?
3-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrimidine-2,4-dione has a molecular weight of 250.32 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethylthiophen-2-yl)methyl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 63810768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).