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

C12H16N4O2S — CID 9398559

IUPAC6-amino-3-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(-c2csc(C)n2)c(=O)n(C)c1=O
InChIInChI=1S/C12H16N4O2S/c1-4-5-16-10(13)9(8-6-19-7(2)14-8)11(17)15(3)12(16)18/h6H,4-5,13H2,1-3H3
InChIKeySFAFAMKGOZQKHU-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.97
Rot. Bonds3

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

6-amino-3-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1-propylpyrimidine-2,4-dione (PubChem CID 9398559) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 6-amino-3-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1-propylpyrimidine-2,4-dione
PubChem CID9398559
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name6-amino-3-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(-c2csc(C)n2)c(=O)n(C)c1=O
InChIInChI=1S/C12H16N4O2S/c1-4-5-16-10(13)9(8-6-19-7(2)14-8)11(17)15(3)12(16)18/h6H,4-5,13H2,1-3H3
InChIKeySFAFAMKGOZQKHU-UHFFFAOYSA-N
XLogP0.97
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1-propylpyrimidine-2,4-dione (CID 9398559) is 6-amino-3-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(-c2csc(C)n2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-3-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1-propylpyrimidine-2,4-dione?
The InChIKey is SFAFAMKGOZQKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-4-5-16-10(13)9(8-6-19-7(2)14-8)11(17)15(3)12(16)18/h6H,4-5,13H2,1-3H3.
What are the key properties of 6-amino-3-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1-propylpyrimidine-2,4-dione?
6-amino-3-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1-propylpyrimidine-2,4-dione has a molecular weight of 280.35 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 9398559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).