3-(aminomethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one

C9H8FN3O — CID 115019286

IUPAC3-(aminomethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESNCc1cnc2ccc(F)cn2c1=O
InChIInChI=1S/C9H8FN3O/c10-7-1-2-8-12-4-6(3-11)9(14)13(8)5-7/h1-2,4-5H,3,11H2
InChIKeyOXQRVTZUVKBMGE-UHFFFAOYSA-N
MW193.18 g/mol
LogP0.29
Rot. Bonds1

About 3-(aminomethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one

3-(aminomethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one (PubChem CID 115019286) has the molecular formula C9H8FN3O and a molecular weight of 193.18 g/mol. Its IUPAC name is 3-(aminomethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-(aminomethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
PubChem CID115019286
Molecular FormulaC9H8FN3O
Molecular Weight193.18 g/mol
Exact Mass193.07
IUPAC Name3-(aminomethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESNCc1cnc2ccc(F)cn2c1=O
InChIInChI=1S/C9H8FN3O/c10-7-1-2-8-12-4-6(3-11)9(14)13(8)5-7/h1-2,4-5H,3,11H2
InChIKeyOXQRVTZUVKBMGE-UHFFFAOYSA-N
XLogP0.29
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 9-methyl-4-oxo-N-propyl-
CID 3079293
3-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 529094
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N,6-dimethyl-4-oxo-
CID 3079272
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-4-oxo-N-propyl-
CID 3079273
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-N-(1-methylethyl)-4-oxo-
CID 3079274
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(2,2-dimethylpropyl)-6-methyl-4-oxo-
CID 3079278
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 4-oxo-N-propyl-
CID 3079290
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 7-methyl-4-oxo-N-propyl-
CID 3079291
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 8-methyl-4-oxo-N-propyl-
CID 3079292
7-Fluoro-2,3-dihydro-4h-pyrido[1,2-a]pyrimidin-4-one
CID 129892490
N-allyl-2-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681033
4-Oxo-4h-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 13624608

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-(aminomethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one (CID 115019286) is 3-(aminomethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-(aminomethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-(aminomethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one is NCc1cnc2ccc(F)cn2c1=O.
What is the InChIKey of 3-(aminomethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OXQRVTZUVKBMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O/c10-7-1-2-8-12-4-6(3-11)9(14)13(8)5-7/h1-2,4-5H,3,11H2.
What are the key properties of 3-(aminomethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one?
3-(aminomethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 193.18 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-7-fluoropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115019286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).