1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione

C11H13N3O2S — CID 138032414

IUPAC1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione
SMILESCCc1nc(Cn2ccc(=O)n(C)c2=O)cs1
InChIInChI=1S/C11H13N3O2S/c1-3-9-12-8(7-17-9)6-14-5-4-10(15)13(2)11(14)16/h4-5,7H,3,6H2,1-2H3
InChIKeyBEZJVDPRLXBXTP-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.61
Rot. Bonds3

About 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione

1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione (PubChem CID 138032414) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione
PubChem CID138032414
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione
SMILESCCc1nc(Cn2ccc(=O)n(C)c2=O)cs1
InChIInChI=1S/C11H13N3O2S/c1-3-9-12-8(7-17-9)6-14-5-4-10(15)13(2)11(14)16/h4-5,7H,3,6H2,1-2H3
InChIKeyBEZJVDPRLXBXTP-UHFFFAOYSA-N
XLogP0.61
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione (CID 138032414) is 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione is CCc1nc(Cn2ccc(=O)n(C)c2=O)cs1.
What is the InChIKey of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione?
The InChIKey is BEZJVDPRLXBXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-3-9-12-8(7-17-9)6-14-5-4-10(15)13(2)11(14)16/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione?
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione has a molecular weight of 251.31 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 138032414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).