1-[2-amino-2-(3,4-difluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-one

C14H15F2N3O — CID 16794968

IUPAC1-[2-amino-2-(3,4-difluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CC(N)c2ccc(F)c(F)c2)c(=O)n1
InChIInChI=1S/C14H15F2N3O/c1-8-5-9(2)19(14(20)18-8)7-13(17)10-3-4-11(15)12(16)6-10/h3-6,13H,7,17H2,1-2H3
InChIKeyXFSGLLNCIUDTCS-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.84
Rot. Bonds3

About 1-[2-amino-2-(3,4-difluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-one

1-[2-amino-2-(3,4-difluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 16794968) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-[2-amino-2-(3,4-difluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[2-amino-2-(3,4-difluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-one
PubChem CID16794968
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name1-[2-amino-2-(3,4-difluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CC(N)c2ccc(F)c(F)c2)c(=O)n1
InChIInChI=1S/C14H15F2N3O/c1-8-5-9(2)19(14(20)18-8)7-13(17)10-3-4-11(15)12(16)6-10/h3-6,13H,7,17H2,1-2H3
InChIKeyXFSGLLNCIUDTCS-UHFFFAOYSA-N
XLogP1.84
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(3,4-difluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[2-amino-2-(3,4-difluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-one (CID 16794968) is 1-[2-amino-2-(3,4-difluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[2-amino-2-(3,4-difluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[2-amino-2-(3,4-difluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-one is Cc1cc(C)n(CC(N)c2ccc(F)c(F)c2)c(=O)n1.
What is the InChIKey of 1-[2-amino-2-(3,4-difluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is XFSGLLNCIUDTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-8-5-9(2)19(14(20)18-8)7-13(17)10-3-4-11(15)12(16)6-10/h3-6,13H,7,17H2,1-2H3.
What are the key properties of 1-[2-amino-2-(3,4-difluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-one?
1-[2-amino-2-(3,4-difluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 279.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(3,4-difluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 16794968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).