4-amino-1-(diethylaminomethyl)-5-fluoropyrimidin-2-one

C9H15FN4O — CID 22155152

IUPAC4-amino-1-(diethylaminomethyl)-5-fluoropyrimidin-2-one
SMILESCCN(CC)Cn1cc(F)c(N)nc1=O
InChIInChI=1S/C9H15FN4O/c1-3-13(4-2)6-14-5-7(10)8(11)12-9(14)15/h5H,3-4,6H2,1-2H3,(H2,11,12,15)
InChIKeyQIWFKSTZFXQSHR-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.26
Rot. Bonds4

About 4-amino-1-(diethylaminomethyl)-5-fluoropyrimidin-2-one

4-amino-1-(diethylaminomethyl)-5-fluoropyrimidin-2-one (PubChem CID 22155152) has the molecular formula C9H15FN4O and a molecular weight of 214.24 g/mol. Its IUPAC name is 4-amino-1-(diethylaminomethyl)-5-fluoropyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(diethylaminomethyl)-5-fluoropyrimidin-2-one
PubChem CID22155152
Molecular FormulaC9H15FN4O
Molecular Weight214.24 g/mol
Exact Mass214.12
IUPAC Name4-amino-1-(diethylaminomethyl)-5-fluoropyrimidin-2-one
SMILESCCN(CC)Cn1cc(F)c(N)nc1=O
InChIInChI=1S/C9H15FN4O/c1-3-13(4-2)6-14-5-7(10)8(11)12-9(14)15/h5H,3-4,6H2,1-2H3,(H2,11,12,15)
InChIKeyQIWFKSTZFXQSHR-UHFFFAOYSA-N
XLogP0.26
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(diethylaminomethyl)-5-fluoropyrimidin-2-one?
The IUPAC name of 4-amino-1-(diethylaminomethyl)-5-fluoropyrimidin-2-one (CID 22155152) is 4-amino-1-(diethylaminomethyl)-5-fluoropyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(diethylaminomethyl)-5-fluoropyrimidin-2-one?
The canonical SMILES for 4-amino-1-(diethylaminomethyl)-5-fluoropyrimidin-2-one is CCN(CC)Cn1cc(F)c(N)nc1=O.
What is the InChIKey of 4-amino-1-(diethylaminomethyl)-5-fluoropyrimidin-2-one?
The InChIKey is QIWFKSTZFXQSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4O/c1-3-13(4-2)6-14-5-7(10)8(11)12-9(14)15/h5H,3-4,6H2,1-2H3,(H2,11,12,15).
What are the key properties of 4-amino-1-(diethylaminomethyl)-5-fluoropyrimidin-2-one?
4-amino-1-(diethylaminomethyl)-5-fluoropyrimidin-2-one has a molecular weight of 214.24 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(diethylaminomethyl)-5-fluoropyrimidin-2-one is sourced from PubChem (CID 22155152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).