1-[(tert-butylamino)methyl]-5-fluoropyrimidine-2,4-dione

C9H14FN3O2 — CID 121459551

IUPAC1-[(tert-butylamino)methyl]-5-fluoropyrimidine-2,4-dione
SMILESCC(C)(C)NCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H14FN3O2/c1-9(2,3)11-5-13-4-6(10)7(14)12-8(13)15/h4,11H,5H2,1-3H3,(H,12,14,15)
InChIKeyHQRJADNQTVVUFV-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.02
Rot. Bonds2

About 1-[(tert-butylamino)methyl]-5-fluoropyrimidine-2,4-dione

1-[(tert-butylamino)methyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 121459551) has the molecular formula C9H14FN3O2 and a molecular weight of 215.23 g/mol. Its IUPAC name is 1-[(tert-butylamino)methyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(tert-butylamino)methyl]-5-fluoropyrimidine-2,4-dione
PubChem CID121459551
Molecular FormulaC9H14FN3O2
Molecular Weight215.23 g/mol
Exact Mass215.11
IUPAC Name1-[(tert-butylamino)methyl]-5-fluoropyrimidine-2,4-dione
SMILESCC(C)(C)NCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H14FN3O2/c1-9(2,3)11-5-13-4-6(10)7(14)12-8(13)15/h4,11H,5H2,1-3H3,(H,12,14,15)
InChIKeyHQRJADNQTVVUFV-UHFFFAOYSA-N
XLogP0.02
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(tert-butylamino)methyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[(tert-butylamino)methyl]-5-fluoropyrimidine-2,4-dione (CID 121459551) is 1-[(tert-butylamino)methyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[(tert-butylamino)methyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[(tert-butylamino)methyl]-5-fluoropyrimidine-2,4-dione is CC(C)(C)NCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(tert-butylamino)methyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is HQRJADNQTVVUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O2/c1-9(2,3)11-5-13-4-6(10)7(14)12-8(13)15/h4,11H,5H2,1-3H3,(H,12,14,15).
What are the key properties of 1-[(tert-butylamino)methyl]-5-fluoropyrimidine-2,4-dione?
1-[(tert-butylamino)methyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 215.23 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(tert-butylamino)methyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 121459551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).