6-[(2,2-difluoroethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione

C9H13F2N3O2 — CID 115406703

IUPAC6-[(2,2-difluoroethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CNCC(F)F)cc(=O)n(C)c1=O
InChIInChI=1S/C9H13F2N3O2/c1-13-6(4-12-5-7(10)11)3-8(15)14(2)9(13)16/h3,7,12H,4-5H2,1-2H3
InChIKeyUULYWHKNRYECOV-UHFFFAOYSA-N
MW233.22 g/mol
LogP-0.56
Rot. Bonds4

About 6-[(2,2-difluoroethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[(2,2-difluoroethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 115406703) has the molecular formula C9H13F2N3O2 and a molecular weight of 233.22 g/mol. Its IUPAC name is 6-[(2,2-difluoroethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(2,2-difluoroethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID115406703
Molecular FormulaC9H13F2N3O2
Molecular Weight233.22 g/mol
Exact Mass233.10
IUPAC Name6-[(2,2-difluoroethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CNCC(F)F)cc(=O)n(C)c1=O
InChIInChI=1S/C9H13F2N3O2/c1-13-6(4-12-5-7(10)11)3-8(15)14(2)9(13)16/h3,7,12H,4-5H2,1-2H3
InChIKeyUULYWHKNRYECOV-UHFFFAOYSA-N
XLogP-0.56
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,2-difluoroethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[(2,2-difluoroethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 115406703) is 6-[(2,2-difluoroethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(2,2-difluoroethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(2,2-difluoroethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(CNCC(F)F)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[(2,2-difluoroethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is UULYWHKNRYECOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O2/c1-13-6(4-12-5-7(10)11)3-8(15)14(2)9(13)16/h3,7,12H,4-5H2,1-2H3.
What are the key properties of 6-[(2,2-difluoroethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[(2,2-difluoroethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 233.22 g/mol, XLogP of -0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-difluoroethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 115406703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).