2-chloro-5-fluoro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine

C10H9ClFN3O — CID 79080425

IUPAC2-chloro-5-fluoro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine
SMILESCC(Nc1nc(Cl)ncc1F)c1ccco1
InChIInChI=1S/C10H9ClFN3O/c1-6(8-3-2-4-16-8)14-9-7(12)5-13-10(11)15-9/h2-6H,1H3,(H,13,14,15)
InChIKeyLORDAYJFUWFMDQ-UHFFFAOYSA-N
MW241.65 g/mol
LogP3.04
Rot. Bonds3

About 2-chloro-5-fluoro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine

2-chloro-5-fluoro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 79080425) has the molecular formula C10H9ClFN3O and a molecular weight of 241.65 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine
PubChem CID79080425
Molecular FormulaC10H9ClFN3O
Molecular Weight241.65 g/mol
Exact Mass241.04
IUPAC Name2-chloro-5-fluoro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine
SMILESCC(Nc1nc(Cl)ncc1F)c1ccco1
InChIInChI=1S/C10H9ClFN3O/c1-6(8-3-2-4-16-8)14-9-7(12)5-13-10(11)15-9/h2-6H,1H3,(H,13,14,15)
InChIKeyLORDAYJFUWFMDQ-UHFFFAOYSA-N
XLogP3.04
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine (CID 79080425) is 2-chloro-5-fluoro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine is CC(Nc1nc(Cl)ncc1F)c1ccco1.
What is the InChIKey of 2-chloro-5-fluoro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is LORDAYJFUWFMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O/c1-6(8-3-2-4-16-8)14-9-7(12)5-13-10(11)15-9/h2-6H,1H3,(H,13,14,15).
What are the key properties of 2-chloro-5-fluoro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine?
2-chloro-5-fluoro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine has a molecular weight of 241.65 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[1-(furan-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 79080425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).