4-amino-1-tert-butyl-5-fluoropyrimidin-2-one

C8H12FN3O — CID 58226977

IUPAC4-amino-1-tert-butyl-5-fluoropyrimidin-2-one
SMILESCC(C)(C)n1cc(F)c(N)nc1=O
InChIInChI=1S/C8H12FN3O/c1-8(2,3)12-4-5(9)6(10)11-7(12)13/h4H,1-3H3,(H2,10,11,13)
InChIKeyKXKNXCWTEJTCPQ-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.72
Rot. Bonds

About 4-amino-1-tert-butyl-5-fluoropyrimidin-2-one

4-amino-1-tert-butyl-5-fluoropyrimidin-2-one (PubChem CID 58226977) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is 4-amino-1-tert-butyl-5-fluoropyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-tert-butyl-5-fluoropyrimidin-2-one
PubChem CID58226977
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC Name4-amino-1-tert-butyl-5-fluoropyrimidin-2-one
SMILESCC(C)(C)n1cc(F)c(N)nc1=O
InChIInChI=1S/C8H12FN3O/c1-8(2,3)12-4-5(9)6(10)11-7(12)13/h4H,1-3H3,(H2,10,11,13)
InChIKeyKXKNXCWTEJTCPQ-UHFFFAOYSA-N
XLogP0.72
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-tert-butyl-5-fluoropyrimidin-2-one?
The IUPAC name of 4-amino-1-tert-butyl-5-fluoropyrimidin-2-one (CID 58226977) is 4-amino-1-tert-butyl-5-fluoropyrimidin-2-one.
What is the SMILES notation for 4-amino-1-tert-butyl-5-fluoropyrimidin-2-one?
The canonical SMILES for 4-amino-1-tert-butyl-5-fluoropyrimidin-2-one is CC(C)(C)n1cc(F)c(N)nc1=O.
What is the InChIKey of 4-amino-1-tert-butyl-5-fluoropyrimidin-2-one?
The InChIKey is KXKNXCWTEJTCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-8(2,3)12-4-5(9)6(10)11-7(12)13/h4H,1-3H3,(H2,10,11,13).
What are the key properties of 4-amino-1-tert-butyl-5-fluoropyrimidin-2-one?
4-amino-1-tert-butyl-5-fluoropyrimidin-2-one has a molecular weight of 185.20 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-tert-butyl-5-fluoropyrimidin-2-one is sourced from PubChem (CID 58226977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).