2-(difluoromethoxy)-4-methoxypyrimidin-5-amine

C6H7F2N3O2 — CID 170733735

IUPAC2-(difluoromethoxy)-4-methoxypyrimidin-5-amine
SMILESCOc1nc(OC(F)F)ncc1N
InChIInChI=1S/C6H7F2N3O2/c1-12-4-3(9)2-10-6(11-4)13-5(7)8/h2,5H,9H2,1H3
InChIKeyWSLRFWAWKNWXQZ-UHFFFAOYSA-N
MW191.14 g/mol
LogP0.67
Rot. Bonds3

About 2-(difluoromethoxy)-4-methoxypyrimidin-5-amine

2-(difluoromethoxy)-4-methoxypyrimidin-5-amine (PubChem CID 170733735) has the molecular formula C6H7F2N3O2 and a molecular weight of 191.14 g/mol. Its IUPAC name is 2-(difluoromethoxy)-4-methoxypyrimidin-5-amine.

Molecular Properties

Compound Name2-(difluoromethoxy)-4-methoxypyrimidin-5-amine
PubChem CID170733735
Molecular FormulaC6H7F2N3O2
Molecular Weight191.14 g/mol
Exact Mass191.05
IUPAC Name2-(difluoromethoxy)-4-methoxypyrimidin-5-amine
SMILESCOc1nc(OC(F)F)ncc1N
InChIInChI=1S/C6H7F2N3O2/c1-12-4-3(9)2-10-6(11-4)13-5(7)8/h2,5H,9H2,1H3
InChIKeyWSLRFWAWKNWXQZ-UHFFFAOYSA-N
XLogP0.67
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-4-methoxypyrimidin-5-amine?
The IUPAC name of 2-(difluoromethoxy)-4-methoxypyrimidin-5-amine (CID 170733735) is 2-(difluoromethoxy)-4-methoxypyrimidin-5-amine.
What is the SMILES notation for 2-(difluoromethoxy)-4-methoxypyrimidin-5-amine?
The canonical SMILES for 2-(difluoromethoxy)-4-methoxypyrimidin-5-amine is COc1nc(OC(F)F)ncc1N.
What is the InChIKey of 2-(difluoromethoxy)-4-methoxypyrimidin-5-amine?
The InChIKey is WSLRFWAWKNWXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O2/c1-12-4-3(9)2-10-6(11-4)13-5(7)8/h2,5H,9H2,1H3.
What are the key properties of 2-(difluoromethoxy)-4-methoxypyrimidin-5-amine?
2-(difluoromethoxy)-4-methoxypyrimidin-5-amine has a molecular weight of 191.14 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-4-methoxypyrimidin-5-amine is sourced from PubChem (CID 170733735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).