5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-amine

C7H9F2N3O — CID 164907938

IUPAC5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-amine
SMILESCOc1nc(N)ncc1CC(F)F
InChIInChI=1S/C7H9F2N3O/c1-13-6-4(2-5(8)9)3-11-7(10)12-6/h3,5H,2H2,1H3,(H2,10,11,12)
InChIKeyNHSAFNJUAJBHDJ-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.88
Rot. Bonds3

About 5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-amine

5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-amine (PubChem CID 164907938) has the molecular formula C7H9F2N3O and a molecular weight of 189.17 g/mol. Its IUPAC name is 5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-amine
PubChem CID164907938
Molecular FormulaC7H9F2N3O
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-amine
SMILESCOc1nc(N)ncc1CC(F)F
InChIInChI=1S/C7H9F2N3O/c1-13-6-4(2-5(8)9)3-11-7(10)12-6/h3,5H,2H2,1H3,(H2,10,11,12)
InChIKeyNHSAFNJUAJBHDJ-UHFFFAOYSA-N
XLogP0.88
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2,2-difluoroethyl)-4-methoxypyrimidin-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-methoxypyrimidin-2-amine?
The IUPAC name of 5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-amine (CID 164907938) is 5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-amine?
The canonical SMILES for 5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-amine is COc1nc(N)ncc1CC(F)F.
What is the InChIKey of 5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-amine?
The InChIKey is NHSAFNJUAJBHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O/c1-13-6-4(2-5(8)9)3-11-7(10)12-6/h3,5H,2H2,1H3,(H2,10,11,12).
What are the key properties of 5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-amine?
5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-amine has a molecular weight of 189.17 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethyl)-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 164907938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).