1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-fluoropyrimidine-2,4-dione

C8H7FN4O2S — CID 79774089

IUPAC1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-fluoropyrimidine-2,4-dione
SMILESNc1ncc(Cn2cc(F)c(=O)[nH]c2=O)s1
InChIInChI=1S/C8H7FN4O2S/c9-5-3-13(8(15)12-6(5)14)2-4-1-11-7(10)16-4/h1,3H,2H2,(H2,10,11)(H,12,14,15)
InChIKeyVFCSRJWOBTUPAW-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.24
Rot. Bonds2

About 1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-fluoropyrimidine-2,4-dione

1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 79774089) has the molecular formula C8H7FN4O2S and a molecular weight of 242.23 g/mol. Its IUPAC name is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-fluoropyrimidine-2,4-dione
PubChem CID79774089
Molecular FormulaC8H7FN4O2S
Molecular Weight242.23 g/mol
Exact Mass242.03
IUPAC Name1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-fluoropyrimidine-2,4-dione
SMILESNc1ncc(Cn2cc(F)c(=O)[nH]c2=O)s1
InChIInChI=1S/C8H7FN4O2S/c9-5-3-13(8(15)12-6(5)14)2-4-1-11-7(10)16-4/h1,3H,2H2,(H2,10,11)(H,12,14,15)
InChIKeyVFCSRJWOBTUPAW-UHFFFAOYSA-N
XLogP-0.24
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-fluoropyrimidine-2,4-dione (CID 79774089) is 1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-fluoropyrimidine-2,4-dione is Nc1ncc(Cn2cc(F)c(=O)[nH]c2=O)s1.
What is the InChIKey of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is VFCSRJWOBTUPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN4O2S/c9-5-3-13(8(15)12-6(5)14)2-4-1-11-7(10)16-4/h1,3H,2H2,(H2,10,11)(H,12,14,15).
What are the key properties of 1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-fluoropyrimidine-2,4-dione?
1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 242.23 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-1,3-thiazol-5-yl)methyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 79774089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).