5-amino-6-chloro-3-(difluoromethyl)pyrimidin-4-one

C5H4ClF2N3O — CID 114582624

IUPAC5-amino-6-chloro-3-(difluoromethyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(C(F)F)c1=O
InChIInChI=1S/C5H4ClF2N3O/c6-3-2(9)4(12)11(1-10-3)5(7)8/h1,5H,9H2
InChIKeyFYKZKRUSWNPEEX-UHFFFAOYSA-N
MW195.56 g/mol
LogP0.87
Rot. Bonds1

About 5-amino-6-chloro-3-(difluoromethyl)pyrimidin-4-one

5-amino-6-chloro-3-(difluoromethyl)pyrimidin-4-one (PubChem CID 114582624) has the molecular formula C5H4ClF2N3O and a molecular weight of 195.56 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(difluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(difluoromethyl)pyrimidin-4-one
PubChem CID114582624
Molecular FormulaC5H4ClF2N3O
Molecular Weight195.56 g/mol
Exact Mass195.00
IUPAC Name5-amino-6-chloro-3-(difluoromethyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(C(F)F)c1=O
InChIInChI=1S/C5H4ClF2N3O/c6-3-2(9)4(12)11(1-10-3)5(7)8/h1,5H,9H2
InChIKeyFYKZKRUSWNPEEX-UHFFFAOYSA-N
XLogP0.87
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.56
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(difluoromethyl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(difluoromethyl)pyrimidin-4-one (CID 114582624) is 5-amino-6-chloro-3-(difluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(difluoromethyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(difluoromethyl)pyrimidin-4-one is Nc1c(Cl)ncn(C(F)F)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-(difluoromethyl)pyrimidin-4-one?
The InChIKey is FYKZKRUSWNPEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF2N3O/c6-3-2(9)4(12)11(1-10-3)5(7)8/h1,5H,9H2.
What are the key properties of 5-amino-6-chloro-3-(difluoromethyl)pyrimidin-4-one?
5-amino-6-chloro-3-(difluoromethyl)pyrimidin-4-one has a molecular weight of 195.56 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-(difluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 114582624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).