2-chloro-N-(2,2-difluoroethyl)furo[3,2-d]pyrimidin-4-amine

C8H6ClF2N3O — CID 86665115

IUPAC2-chloro-N-(2,2-difluoroethyl)furo[3,2-d]pyrimidin-4-amine
SMILESFC(F)CNc1nc(Cl)nc2ccoc12
InChIInChI=1S/C8H6ClF2N3O/c9-8-13-4-1-2-15-6(4)7(14-8)12-3-5(10)11/h1-2,5H,3H2,(H,12,13,14)
InChIKeyABONCOPQJOGNLA-UHFFFAOYSA-N
MW233.60 g/mol
LogP2.55
Rot. Bonds3

About 2-chloro-N-(2,2-difluoroethyl)furo[3,2-d]pyrimidin-4-amine

2-chloro-N-(2,2-difluoroethyl)furo[3,2-d]pyrimidin-4-amine (PubChem CID 86665115) has the molecular formula C8H6ClF2N3O and a molecular weight of 233.60 g/mol. Its IUPAC name is 2-chloro-N-(2,2-difluoroethyl)furo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2,2-difluoroethyl)furo[3,2-d]pyrimidin-4-amine
PubChem CID86665115
Molecular FormulaC8H6ClF2N3O
Molecular Weight233.60 g/mol
Exact Mass233.02
IUPAC Name2-chloro-N-(2,2-difluoroethyl)furo[3,2-d]pyrimidin-4-amine
SMILESFC(F)CNc1nc(Cl)nc2ccoc12
InChIInChI=1S/C8H6ClF2N3O/c9-8-13-4-1-2-15-6(4)7(14-8)12-3-5(10)11/h1-2,5H,3H2,(H,12,13,14)
InChIKeyABONCOPQJOGNLA-UHFFFAOYSA-N
XLogP2.55
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.60
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2-difluoroethyl)furo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2,2-difluoroethyl)furo[3,2-d]pyrimidin-4-amine (CID 86665115) is 2-chloro-N-(2,2-difluoroethyl)furo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2,2-difluoroethyl)furo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2,2-difluoroethyl)furo[3,2-d]pyrimidin-4-amine is FC(F)CNc1nc(Cl)nc2ccoc12.
What is the InChIKey of 2-chloro-N-(2,2-difluoroethyl)furo[3,2-d]pyrimidin-4-amine?
The InChIKey is ABONCOPQJOGNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2N3O/c9-8-13-4-1-2-15-6(4)7(14-8)12-3-5(10)11/h1-2,5H,3H2,(H,12,13,14).
What are the key properties of 2-chloro-N-(2,2-difluoroethyl)furo[3,2-d]pyrimidin-4-amine?
2-chloro-N-(2,2-difluoroethyl)furo[3,2-d]pyrimidin-4-amine has a molecular weight of 233.60 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2-difluoroethyl)furo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 86665115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).