1-[2-amino-2-[2-(difluoromethoxy)phenyl]ethyl]pyrimidin-2-one

C13H13F2N3O2 — CID 16788420

IUPAC1-[2-amino-2-[2-(difluoromethoxy)phenyl]ethyl]pyrimidin-2-one
SMILESNC(Cn1cccnc1=O)c1ccccc1OC(F)F
InChIInChI=1S/C13H13F2N3O2/c14-12(15)20-11-5-2-1-4-9(11)10(16)8-18-7-3-6-17-13(18)19/h1-7,10,12H,8,16H2
InChIKeyHKALATATFCZZLN-UHFFFAOYSA-N
MW281.26 g/mol
LogP1.54
Rot. Bonds5

About 1-[2-amino-2-[2-(difluoromethoxy)phenyl]ethyl]pyrimidin-2-one

1-[2-amino-2-[2-(difluoromethoxy)phenyl]ethyl]pyrimidin-2-one (PubChem CID 16788420) has the molecular formula C13H13F2N3O2 and a molecular weight of 281.26 g/mol. Its IUPAC name is 1-[2-amino-2-[2-(difluoromethoxy)phenyl]ethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-amino-2-[2-(difluoromethoxy)phenyl]ethyl]pyrimidin-2-one
PubChem CID16788420
Molecular FormulaC13H13F2N3O2
Molecular Weight281.26 g/mol
Exact Mass281.10
IUPAC Name1-[2-amino-2-[2-(difluoromethoxy)phenyl]ethyl]pyrimidin-2-one
SMILESNC(Cn1cccnc1=O)c1ccccc1OC(F)F
InChIInChI=1S/C13H13F2N3O2/c14-12(15)20-11-5-2-1-4-9(11)10(16)8-18-7-3-6-17-13(18)19/h1-7,10,12H,8,16H2
InChIKeyHKALATATFCZZLN-UHFFFAOYSA-N
XLogP1.54
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-[2-(difluoromethoxy)phenyl]ethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-amino-2-[2-(difluoromethoxy)phenyl]ethyl]pyrimidin-2-one (CID 16788420) is 1-[2-amino-2-[2-(difluoromethoxy)phenyl]ethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-amino-2-[2-(difluoromethoxy)phenyl]ethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-amino-2-[2-(difluoromethoxy)phenyl]ethyl]pyrimidin-2-one is NC(Cn1cccnc1=O)c1ccccc1OC(F)F.
What is the InChIKey of 1-[2-amino-2-[2-(difluoromethoxy)phenyl]ethyl]pyrimidin-2-one?
The InChIKey is HKALATATFCZZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2/c14-12(15)20-11-5-2-1-4-9(11)10(16)8-18-7-3-6-17-13(18)19/h1-7,10,12H,8,16H2.
What are the key properties of 1-[2-amino-2-[2-(difluoromethoxy)phenyl]ethyl]pyrimidin-2-one?
1-[2-amino-2-[2-(difluoromethoxy)phenyl]ethyl]pyrimidin-2-one has a molecular weight of 281.26 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-[2-(difluoromethoxy)phenyl]ethyl]pyrimidin-2-one is sourced from PubChem (CID 16788420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).