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

C21H21FN4O3S — CID 2123195

IUPAC6-amino-5-[4-cyclopropyl-5-(4-fluorobenzoyl)-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(-c2nc(C3CC3)c(C(=O)c3ccc(F)cc3)s2)c(=O)n(C)c1=O
InChIInChI=1S/C21H21FN4O3S/c1-3-10-26-18(23)14(20(28)25(2)21(26)29)19-24-15(11-4-5-11)17(30-19)16(27)12-6-8-13(22)9-7-12/h6-9,11H,3-5,10,23H2,1-2H3
InChIKeyILLHHXFCYYULFJ-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.91
Rot. Bonds6

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

6-amino-5-[4-cyclopropyl-5-(4-fluorobenzoyl)-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione (PubChem CID 2123195) has the molecular formula C21H21FN4O3S and a molecular weight of 428.49 g/mol. Its IUPAC name is 6-amino-5-[4-cyclopropyl-5-(4-fluorobenzoyl)-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[4-cyclopropyl-5-(4-fluorobenzoyl)-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione
PubChem CID2123195
Molecular FormulaC21H21FN4O3S
Molecular Weight428.49 g/mol
Exact Mass428.13
IUPAC Name6-amino-5-[4-cyclopropyl-5-(4-fluorobenzoyl)-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(-c2nc(C3CC3)c(C(=O)c3ccc(F)cc3)s2)c(=O)n(C)c1=O
InChIInChI=1S/C21H21FN4O3S/c1-3-10-26-18(23)14(20(28)25(2)21(26)29)19-24-15(11-4-5-11)17(30-19)16(27)12-6-8-13(22)9-7-12/h6-9,11H,3-5,10,23H2,1-2H3
InChIKeyILLHHXFCYYULFJ-UHFFFAOYSA-N
XLogP2.91
TPSA99.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[4-cyclopropyl-5-(4-fluorobenzoyl)-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[4-cyclopropyl-5-(4-fluorobenzoyl)-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione (CID 2123195) is 6-amino-5-[4-cyclopropyl-5-(4-fluorobenzoyl)-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[4-cyclopropyl-5-(4-fluorobenzoyl)-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[4-cyclopropyl-5-(4-fluorobenzoyl)-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(-c2nc(C3CC3)c(C(=O)c3ccc(F)cc3)s2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[4-cyclopropyl-5-(4-fluorobenzoyl)-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione?
The InChIKey is ILLHHXFCYYULFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3S/c1-3-10-26-18(23)14(20(28)25(2)21(26)29)19-24-15(11-4-5-11)17(30-19)16(27)12-6-8-13(22)9-7-12/h6-9,11H,3-5,10,23H2,1-2H3.
What are the key properties of 6-amino-5-[4-cyclopropyl-5-(4-fluorobenzoyl)-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione?
6-amino-5-[4-cyclopropyl-5-(4-fluorobenzoyl)-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione has a molecular weight of 428.49 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[4-cyclopropyl-5-(4-fluorobenzoyl)-1,3-thiazol-2-yl]-3-methyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 2123195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).