6-amino-5-(2-methyl-1,3-thiazol-4-yl)-1-propylpyrimidine-2,4-dione

C11H14N4O2S — CID 8004839

IUPAC6-amino-5-(2-methyl-1,3-thiazol-4-yl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(-c2csc(C)n2)c(=O)[nH]c1=O
InChIInChI=1S/C11H14N4O2S/c1-3-4-15-9(12)8(10(16)14-11(15)17)7-5-18-6(2)13-7/h5H,3-4,12H2,1-2H3,(H,14,16,17)
InChIKeyWMGYFLFLQHYBOM-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.96
Rot. Bonds3

About 6-amino-5-(2-methyl-1,3-thiazol-4-yl)-1-propylpyrimidine-2,4-dione

6-amino-5-(2-methyl-1,3-thiazol-4-yl)-1-propylpyrimidine-2,4-dione (PubChem CID 8004839) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 6-amino-5-(2-methyl-1,3-thiazol-4-yl)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(2-methyl-1,3-thiazol-4-yl)-1-propylpyrimidine-2,4-dione
PubChem CID8004839
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name6-amino-5-(2-methyl-1,3-thiazol-4-yl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(-c2csc(C)n2)c(=O)[nH]c1=O
InChIInChI=1S/C11H14N4O2S/c1-3-4-15-9(12)8(10(16)14-11(15)17)7-5-18-6(2)13-7/h5H,3-4,12H2,1-2H3,(H,14,16,17)
InChIKeyWMGYFLFLQHYBOM-UHFFFAOYSA-N
XLogP0.96
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.96
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-methyl-1,3-thiazol-4-yl)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(2-methyl-1,3-thiazol-4-yl)-1-propylpyrimidine-2,4-dione (CID 8004839) is 6-amino-5-(2-methyl-1,3-thiazol-4-yl)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(2-methyl-1,3-thiazol-4-yl)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(2-methyl-1,3-thiazol-4-yl)-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(-c2csc(C)n2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(2-methyl-1,3-thiazol-4-yl)-1-propylpyrimidine-2,4-dione?
The InChIKey is WMGYFLFLQHYBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c1-3-4-15-9(12)8(10(16)14-11(15)17)7-5-18-6(2)13-7/h5H,3-4,12H2,1-2H3,(H,14,16,17).
What are the key properties of 6-amino-5-(2-methyl-1,3-thiazol-4-yl)-1-propylpyrimidine-2,4-dione?
6-amino-5-(2-methyl-1,3-thiazol-4-yl)-1-propylpyrimidine-2,4-dione has a molecular weight of 266.33 g/mol, XLogP of 0.96, 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-methyl-1,3-thiazol-4-yl)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 8004839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).