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

C18H20FN5O2S — CID 9173921

IUPAC6-amino-5-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(-c2csc(Nc3ccc(C)c(F)c3)n2)c(=O)n(C)c1=O
InChIInChI=1S/C18H20FN5O2S/c1-4-7-24-15(20)14(16(25)23(3)18(24)26)13-9-27-17(22-13)21-11-6-5-10(2)12(19)8-11/h5-6,8-9H,4,7,20H2,1-3H3,(H,21,22)
InChIKeyHRRKGLKFHMHCOF-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.85
Rot. Bonds5

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

6-amino-5-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione (PubChem CID 9173921) has the molecular formula C18H20FN5O2S and a molecular weight of 389.46 g/mol. Its IUPAC name is 6-amino-5-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione
PubChem CID9173921
Molecular FormulaC18H20FN5O2S
Molecular Weight389.46 g/mol
Exact Mass389.13
IUPAC Name6-amino-5-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(-c2csc(Nc3ccc(C)c(F)c3)n2)c(=O)n(C)c1=O
InChIInChI=1S/C18H20FN5O2S/c1-4-7-24-15(20)14(16(25)23(3)18(24)26)13-9-27-17(22-13)21-11-6-5-10(2)12(19)8-11/h5-6,8-9H,4,7,20H2,1-3H3,(H,21,22)
InChIKeyHRRKGLKFHMHCOF-UHFFFAOYSA-N
XLogP2.85
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione (CID 9173921) is 6-amino-5-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(-c2csc(Nc3ccc(C)c(F)c3)n2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione?
The InChIKey is HRRKGLKFHMHCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2S/c1-4-7-24-15(20)14(16(25)23(3)18(24)26)13-9-27-17(22-13)21-11-6-5-10(2)12(19)8-11/h5-6,8-9H,4,7,20H2,1-3H3,(H,21,22).
What are the key properties of 6-amino-5-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione?
6-amino-5-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione has a molecular weight of 389.46 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 9173921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).