6-amino-3-[(2-chloro-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione

C10H8ClF3N4O2S — CID 126837357

IUPAC6-amino-3-[(2-chloro-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
SMILESNc1cc(=O)n(Cc2csc(Cl)n2)c(=O)n1CC(F)(F)F
InChIInChI=1S/C10H8ClF3N4O2S/c11-8-16-5(3-21-8)2-17-7(19)1-6(15)18(9(17)20)4-10(12,13)14/h1,3H,2,4,15H2
InChIKeyWOYFVLPOMNIOAG-UHFFFAOYSA-N
MW340.71 g/mol
LogP1.31
Rot. Bonds3

About 6-amino-3-[(2-chloro-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione

6-amino-3-[(2-chloro-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (PubChem CID 126837357) has the molecular formula C10H8ClF3N4O2S and a molecular weight of 340.71 g/mol. Its IUPAC name is 6-amino-3-[(2-chloro-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-[(2-chloro-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
PubChem CID126837357
Molecular FormulaC10H8ClF3N4O2S
Molecular Weight340.71 g/mol
Exact Mass340.00
IUPAC Name6-amino-3-[(2-chloro-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione
SMILESNc1cc(=O)n(Cc2csc(Cl)n2)c(=O)n1CC(F)(F)F
InChIInChI=1S/C10H8ClF3N4O2S/c11-8-16-5(3-21-8)2-17-7(19)1-6(15)18(9(17)20)4-10(12,13)14/h1,3H,2,4,15H2
InChIKeyWOYFVLPOMNIOAG-UHFFFAOYSA-N
XLogP1.31
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.71
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[(2-chloro-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-[(2-chloro-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione (CID 126837357) is 6-amino-3-[(2-chloro-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-[(2-chloro-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-[(2-chloro-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is Nc1cc(=O)n(Cc2csc(Cl)n2)c(=O)n1CC(F)(F)F.
What is the InChIKey of 6-amino-3-[(2-chloro-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
The InChIKey is WOYFVLPOMNIOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3N4O2S/c11-8-16-5(3-21-8)2-17-7(19)1-6(15)18(9(17)20)4-10(12,13)14/h1,3H,2,4,15H2.
What are the key properties of 6-amino-3-[(2-chloro-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione?
6-amino-3-[(2-chloro-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione has a molecular weight of 340.71 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[(2-chloro-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 126837357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).