2-(2,2-difluoroethoxy)-4-(difluoromethoxy)pyrimidin-5-amine

C7H7F4N3O2 — CID 170733734

IUPAC2-(2,2-difluoroethoxy)-4-(difluoromethoxy)pyrimidin-5-amine
SMILESNc1cnc(OCC(F)F)nc1OC(F)F
InChIInChI=1S/C7H7F4N3O2/c8-4(9)2-15-7-13-1-3(12)5(14-7)16-6(10)11/h1,4,6H,2,12H2
InChIKeyYKYLPODDHGEAKN-UHFFFAOYSA-N
MW241.14 g/mol
LogP1.30
Rot. Bonds5

About 2-(2,2-difluoroethoxy)-4-(difluoromethoxy)pyrimidin-5-amine

2-(2,2-difluoroethoxy)-4-(difluoromethoxy)pyrimidin-5-amine (PubChem CID 170733734) has the molecular formula C7H7F4N3O2 and a molecular weight of 241.14 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-4-(difluoromethoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-4-(difluoromethoxy)pyrimidin-5-amine
PubChem CID170733734
Molecular FormulaC7H7F4N3O2
Molecular Weight241.14 g/mol
Exact Mass241.05
IUPAC Name2-(2,2-difluoroethoxy)-4-(difluoromethoxy)pyrimidin-5-amine
SMILESNc1cnc(OCC(F)F)nc1OC(F)F
InChIInChI=1S/C7H7F4N3O2/c8-4(9)2-15-7-13-1-3(12)5(14-7)16-6(10)11/h1,4,6H,2,12H2
InChIKeyYKYLPODDHGEAKN-UHFFFAOYSA-N
XLogP1.30
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.14
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-4-(difluoromethoxy)pyrimidin-5-amine?
The IUPAC name of 2-(2,2-difluoroethoxy)-4-(difluoromethoxy)pyrimidin-5-amine (CID 170733734) is 2-(2,2-difluoroethoxy)-4-(difluoromethoxy)pyrimidin-5-amine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-4-(difluoromethoxy)pyrimidin-5-amine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-4-(difluoromethoxy)pyrimidin-5-amine is Nc1cnc(OCC(F)F)nc1OC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxy)-4-(difluoromethoxy)pyrimidin-5-amine?
The InChIKey is YKYLPODDHGEAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F4N3O2/c8-4(9)2-15-7-13-1-3(12)5(14-7)16-6(10)11/h1,4,6H,2,12H2.
What are the key properties of 2-(2,2-difluoroethoxy)-4-(difluoromethoxy)pyrimidin-5-amine?
2-(2,2-difluoroethoxy)-4-(difluoromethoxy)pyrimidin-5-amine has a molecular weight of 241.14 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-4-(difluoromethoxy)pyrimidin-5-amine is sourced from PubChem (CID 170733734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).