5-bromo-N-(2,2-difluoroethyl)-4-methoxy-N-methylpyrimidin-2-amine

C8H10BrF2N3O — CID 106999089

IUPAC5-bromo-N-(2,2-difluoroethyl)-4-methoxy-N-methylpyrimidin-2-amine
SMILESCOc1nc(N(C)CC(F)F)ncc1Br
InChIInChI=1S/C8H10BrF2N3O/c1-14(4-6(10)11)8-12-3-5(9)7(13-8)15-2/h3,6H,4H2,1-2H3
InChIKeyFHMONEYANWVXNC-UHFFFAOYSA-N
MW282.09 g/mol
LogP1.95
Rot. Bonds4

About 5-bromo-N-(2,2-difluoroethyl)-4-methoxy-N-methylpyrimidin-2-amine

5-bromo-N-(2,2-difluoroethyl)-4-methoxy-N-methylpyrimidin-2-amine (PubChem CID 106999089) has the molecular formula C8H10BrF2N3O and a molecular weight of 282.09 g/mol. Its IUPAC name is 5-bromo-N-(2,2-difluoroethyl)-4-methoxy-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(2,2-difluoroethyl)-4-methoxy-N-methylpyrimidin-2-amine
PubChem CID106999089
Molecular FormulaC8H10BrF2N3O
Molecular Weight282.09 g/mol
Exact Mass281.00
IUPAC Name5-bromo-N-(2,2-difluoroethyl)-4-methoxy-N-methylpyrimidin-2-amine
SMILESCOc1nc(N(C)CC(F)F)ncc1Br
InChIInChI=1S/C8H10BrF2N3O/c1-14(4-6(10)11)8-12-3-5(9)7(13-8)15-2/h3,6H,4H2,1-2H3
InChIKeyFHMONEYANWVXNC-UHFFFAOYSA-N
XLogP1.95
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.09
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2-difluoroethyl)-4-methoxy-N-methylpyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(2,2-difluoroethyl)-4-methoxy-N-methylpyrimidin-2-amine (CID 106999089) is 5-bromo-N-(2,2-difluoroethyl)-4-methoxy-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(2,2-difluoroethyl)-4-methoxy-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(2,2-difluoroethyl)-4-methoxy-N-methylpyrimidin-2-amine is COc1nc(N(C)CC(F)F)ncc1Br.
What is the InChIKey of 5-bromo-N-(2,2-difluoroethyl)-4-methoxy-N-methylpyrimidin-2-amine?
The InChIKey is FHMONEYANWVXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF2N3O/c1-14(4-6(10)11)8-12-3-5(9)7(13-8)15-2/h3,6H,4H2,1-2H3.
What are the key properties of 5-bromo-N-(2,2-difluoroethyl)-4-methoxy-N-methylpyrimidin-2-amine?
5-bromo-N-(2,2-difluoroethyl)-4-methoxy-N-methylpyrimidin-2-amine has a molecular weight of 282.09 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2-difluoroethyl)-4-methoxy-N-methylpyrimidin-2-amine is sourced from PubChem (CID 106999089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).