3-amino-9-fluoropyrido[1,2-a]pyrimidin-4-one

C8H6FN3O — CID 115015296

IUPAC3-amino-9-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESNc1cnc2c(F)cccn2c1=O
InChIInChI=1S/C8H6FN3O/c9-5-2-1-3-12-7(5)11-4-6(10)8(12)13/h1-4H,10H2
InChIKeyBWEAZLSNYQSUDN-UHFFFAOYSA-N
MW179.15 g/mol
LogP0.42
Rot. Bonds

About 3-amino-9-fluoropyrido[1,2-a]pyrimidin-4-one

3-amino-9-fluoropyrido[1,2-a]pyrimidin-4-one (PubChem CID 115015296) has the molecular formula C8H6FN3O and a molecular weight of 179.15 g/mol. Its IUPAC name is 3-amino-9-fluoropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-9-fluoropyrido[1,2-a]pyrimidin-4-one
PubChem CID115015296
Molecular FormulaC8H6FN3O
Molecular Weight179.15 g/mol
Exact Mass179.05
IUPAC Name3-amino-9-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESNc1cnc2c(F)cccn2c1=O
InChIInChI=1S/C8H6FN3O/c9-5-2-1-3-12-7(5)11-4-6(10)8(12)13/h1-4H,10H2
InChIKeyBWEAZLSNYQSUDN-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-(aminomethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 47003241
3-Amino-4H-pyrido[1,2-a]pyrimidin-4-one
CID 3514055
3-amino-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 1359737
Cambridge id 5974420
CID 2879264
4H-Pyrido[1,2-a]pyrimidin-4-one, 2-amino-
CID 12295397
2,2,2-trifluoro-N-(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acetamide
CID 18566116
7-Fluoro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 68508522
2-(Trifluoromethyl)-4H-pyrido[1,2-A]pyrimidin-4-one
CID 69324468
2-[(2,2-Difluoroethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 115406622
7-Fluoro-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 130051210
9-Fluoro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 138112753
7-Amino-2-(difluoromethyl)-9-fluoro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 138958344

Frequently Asked Questions

What is the IUPAC name of 3-amino-9-fluoropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-amino-9-fluoropyrido[1,2-a]pyrimidin-4-one (CID 115015296) is 3-amino-9-fluoropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-amino-9-fluoropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-amino-9-fluoropyrido[1,2-a]pyrimidin-4-one is Nc1cnc2c(F)cccn2c1=O.
What is the InChIKey of 3-amino-9-fluoropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BWEAZLSNYQSUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O/c9-5-2-1-3-12-7(5)11-4-6(10)8(12)13/h1-4H,10H2.
What are the key properties of 3-amino-9-fluoropyrido[1,2-a]pyrimidin-4-one?
3-amino-9-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 3-amino-9-fluoropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115015296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).