5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-amine

C8H11F2N3O2 — CID 164907871

IUPAC5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-amine
SMILESCOc1nc(N)nc(OC)c1CC(F)F
InChIInChI=1S/C8H11F2N3O2/c1-14-6-4(3-5(9)10)7(15-2)13-8(11)12-6/h5H,3H2,1-2H3,(H2,11,12,13)
InChIKeyKISLYLHBKHWWPX-UHFFFAOYSA-N
MW219.19 g/mol
LogP0.88
Rot. Bonds4

About 5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-amine

5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-amine (PubChem CID 164907871) has the molecular formula C8H11F2N3O2 and a molecular weight of 219.19 g/mol. Its IUPAC name is 5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-amine
PubChem CID164907871
Molecular FormulaC8H11F2N3O2
Molecular Weight219.19 g/mol
Exact Mass219.08
IUPAC Name5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-amine
SMILESCOc1nc(N)nc(OC)c1CC(F)F
InChIInChI=1S/C8H11F2N3O2/c1-14-6-4(3-5(9)10)7(15-2)13-8(11)12-6/h5H,3H2,1-2H3,(H2,11,12,13)
InChIKeyKISLYLHBKHWWPX-UHFFFAOYSA-N
XLogP0.88
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-amine?
The IUPAC name of 5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-amine (CID 164907871) is 5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-amine.
What is the SMILES notation for 5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-amine?
The canonical SMILES for 5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-amine is COc1nc(N)nc(OC)c1CC(F)F.
What is the InChIKey of 5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-amine?
The InChIKey is KISLYLHBKHWWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O2/c1-14-6-4(3-5(9)10)7(15-2)13-8(11)12-6/h5H,3H2,1-2H3,(H2,11,12,13).
What are the key properties of 5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-amine?
5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-amine has a molecular weight of 219.19 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethyl)-4,6-dimethoxypyrimidin-2-amine is sourced from PubChem (CID 164907871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).