6-amino-5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione

C15H13BrN4O2S — CID 8560111

IUPAC6-amino-5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione
SMILESCCn1c(N)c(-c2csc(-c3ccc(Br)cc3)n2)c(=O)[nH]c1=O
InChIInChI=1S/C15H13BrN4O2S/c1-2-20-12(17)11(13(21)19-15(20)22)10-7-23-14(18-10)8-3-5-9(16)6-4-8/h3-7H,2,17H2,1H3,(H,19,21,22)
InChIKeyMYELELZKMFIBMH-UHFFFAOYSA-N
MW393.27 g/mol
LogP2.69
Rot. Bonds3

About 6-amino-5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione

6-amino-5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione (PubChem CID 8560111) has the molecular formula C15H13BrN4O2S and a molecular weight of 393.27 g/mol. Its IUPAC name is 6-amino-5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione
PubChem CID8560111
Molecular FormulaC15H13BrN4O2S
Molecular Weight393.27 g/mol
Exact Mass391.99
IUPAC Name6-amino-5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione
SMILESCCn1c(N)c(-c2csc(-c3ccc(Br)cc3)n2)c(=O)[nH]c1=O
InChIInChI=1S/C15H13BrN4O2S/c1-2-20-12(17)11(13(21)19-15(20)22)10-7-23-14(18-10)8-3-5-9(16)6-4-8/h3-7H,2,17H2,1H3,(H,19,21,22)
InChIKeyMYELELZKMFIBMH-UHFFFAOYSA-N
XLogP2.69
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione (CID 8560111) is 6-amino-5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione is CCn1c(N)c(-c2csc(-c3ccc(Br)cc3)n2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione?
The InChIKey is MYELELZKMFIBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O2S/c1-2-20-12(17)11(13(21)19-15(20)22)10-7-23-14(18-10)8-3-5-9(16)6-4-8/h3-7H,2,17H2,1H3,(H,19,21,22).
What are the key properties of 6-amino-5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione?
6-amino-5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione has a molecular weight of 393.27 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-(4-bromophenyl)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 8560111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).