2-amino-7-fluoropyrido[1,2-a]pyrimidin-4-one

C8H6FN3O — CID 115015290

IUPAC2-amino-7-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESNc1cc(=O)n2cc(F)ccc2n1
InChIInChI=1S/C8H6FN3O/c9-5-1-2-7-11-6(10)3-8(13)12(7)4-5/h1-4H,10H2
InChIKeySYMXXFDLGCSGKK-UHFFFAOYSA-N
MW179.15 g/mol
LogP0.42
Rot. Bonds

About 2-amino-7-fluoropyrido[1,2-a]pyrimidin-4-one

2-amino-7-fluoropyrido[1,2-a]pyrimidin-4-one (PubChem CID 115015290) has the molecular formula C8H6FN3O and a molecular weight of 179.15 g/mol. Its IUPAC name is 2-amino-7-fluoropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-7-fluoropyrido[1,2-a]pyrimidin-4-one
PubChem CID115015290
Molecular FormulaC8H6FN3O
Molecular Weight179.15 g/mol
Exact Mass179.05
IUPAC Name2-amino-7-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESNc1cc(=O)n2cc(F)ccc2n1
InChIInChI=1S/C8H6FN3O/c9-5-1-2-7-11-6(10)3-8(13)12(7)4-5/h1-4H,10H2
InChIKeySYMXXFDLGCSGKK-UHFFFAOYSA-N
XLogP0.42
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.15
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-7-bromopyrido[1,2-a]pyrimidin-4-one
CID 83898760
2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one;5-fluoropyridin-2-amine
CID 159315914
2-(2,2-dimethylpropyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 130209616
6-fluoro-2-propylimidazo[1,2-a]pyridin-3-amine
CID 63619000
6-fluoro-2-methylimidazo[1,2-a]pyridin-3-amine
CID 63616620
benzyl N-[1-(7-fluoro-4-oxopyrido[1,2-a]pyrimidin-2-yl)ethyl]carbamate
CID 58796860
2-amino-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115036986
6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
CID 63617964
2-amino-8-bromopyrido[1,2-a]pyrimidin-4-one
CID 83898761
7-fluoro-2-(piperidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054690
6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-amine
CID 105429663
3-bromo-2-(chloromethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
CID 66831405

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-amino-7-fluoropyrido[1,2-a]pyrimidin-4-one (CID 115015290) is 2-amino-7-fluoropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-amino-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-amino-7-fluoropyrido[1,2-a]pyrimidin-4-one is Nc1cc(=O)n2cc(F)ccc2n1.
What is the InChIKey of 2-amino-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is SYMXXFDLGCSGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O/c9-5-1-2-7-11-6(10)3-8(13)12(7)4-5/h1-4H,10H2.
What are the key properties of 2-amino-7-fluoropyrido[1,2-a]pyrimidin-4-one?
2-amino-7-fluoropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 179.15 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-fluoropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115015290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).