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

C8H5ClF3N3O — CID 86665114

IUPAC2-chloro-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidin-4-amine
SMILESFC(F)(F)CNc1nc(Cl)nc2ccoc12
InChIInChI=1S/C8H5ClF3N3O/c9-7-14-4-1-2-16-5(4)6(15-7)13-3-8(10,11)12/h1-2H,3H2,(H,13,14,15)
InChIKeyBMYVMYSZVZQQEH-UHFFFAOYSA-N
MW251.59 g/mol
LogP2.85
Rot. Bonds2

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

2-chloro-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidin-4-amine (PubChem CID 86665114) has the molecular formula C8H5ClF3N3O and a molecular weight of 251.59 g/mol. Its IUPAC name is 2-chloro-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidin-4-amine
PubChem CID86665114
Molecular FormulaC8H5ClF3N3O
Molecular Weight251.59 g/mol
Exact Mass251.01
IUPAC Name2-chloro-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidin-4-amine
SMILESFC(F)(F)CNc1nc(Cl)nc2ccoc12
InChIInChI=1S/C8H5ClF3N3O/c9-7-14-4-1-2-16-5(4)6(15-7)13-3-8(10,11)12/h1-2H,3H2,(H,13,14,15)
InChIKeyBMYVMYSZVZQQEH-UHFFFAOYSA-N
XLogP2.85
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.59
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidin-4-amine (CID 86665114) is 2-chloro-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidin-4-amine is FC(F)(F)CNc1nc(Cl)nc2ccoc12.
What is the InChIKey of 2-chloro-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidin-4-amine?
The InChIKey is BMYVMYSZVZQQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3N3O/c9-7-14-4-1-2-16-5(4)6(15-7)13-3-8(10,11)12/h1-2H,3H2,(H,13,14,15).
What are the key properties of 2-chloro-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidin-4-amine?
2-chloro-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidin-4-amine has a molecular weight of 251.59 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2,2-trifluoroethyl)furo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 86665114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).