4-amino-1-[(dimethylamino)methyl]-5-fluoropyrimidin-2-one

C7H11FN4O — CID 22155148

IUPAC4-amino-1-[(dimethylamino)methyl]-5-fluoropyrimidin-2-one
SMILESCN(C)Cn1cc(F)c(N)nc1=O
InChIInChI=1S/C7H11FN4O/c1-11(2)4-12-3-5(8)6(9)10-7(12)13/h3H,4H2,1-2H3,(H2,9,10,13)
InChIKeyZABPPORWTCGRKW-UHFFFAOYSA-N
MW186.19 g/mol
LogP-0.52
Rot. Bonds2

About 4-amino-1-[(dimethylamino)methyl]-5-fluoropyrimidin-2-one

4-amino-1-[(dimethylamino)methyl]-5-fluoropyrimidin-2-one (PubChem CID 22155148) has the molecular formula C7H11FN4O and a molecular weight of 186.19 g/mol. Its IUPAC name is 4-amino-1-[(dimethylamino)methyl]-5-fluoropyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(dimethylamino)methyl]-5-fluoropyrimidin-2-one
PubChem CID22155148
Molecular FormulaC7H11FN4O
Molecular Weight186.19 g/mol
Exact Mass186.09
IUPAC Name4-amino-1-[(dimethylamino)methyl]-5-fluoropyrimidin-2-one
SMILESCN(C)Cn1cc(F)c(N)nc1=O
InChIInChI=1S/C7H11FN4O/c1-11(2)4-12-3-5(8)6(9)10-7(12)13/h3H,4H2,1-2H3,(H2,9,10,13)
InChIKeyZABPPORWTCGRKW-UHFFFAOYSA-N
XLogP-0.52
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(dimethylamino)methyl]-5-fluoropyrimidin-2-one?
The IUPAC name of 4-amino-1-[(dimethylamino)methyl]-5-fluoropyrimidin-2-one (CID 22155148) is 4-amino-1-[(dimethylamino)methyl]-5-fluoropyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(dimethylamino)methyl]-5-fluoropyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(dimethylamino)methyl]-5-fluoropyrimidin-2-one is CN(C)Cn1cc(F)c(N)nc1=O.
What is the InChIKey of 4-amino-1-[(dimethylamino)methyl]-5-fluoropyrimidin-2-one?
The InChIKey is ZABPPORWTCGRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4O/c1-11(2)4-12-3-5(8)6(9)10-7(12)13/h3H,4H2,1-2H3,(H2,9,10,13).
What are the key properties of 4-amino-1-[(dimethylamino)methyl]-5-fluoropyrimidin-2-one?
4-amino-1-[(dimethylamino)methyl]-5-fluoropyrimidin-2-one has a molecular weight of 186.19 g/mol, XLogP of -0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(dimethylamino)methyl]-5-fluoropyrimidin-2-one is sourced from PubChem (CID 22155148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).