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

C11H11ClFN3O — CID 79081354

IUPAC2-chloro-5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine
SMILESCc1ccc(C(C)Nc2nc(Cl)ncc2F)o1
InChIInChI=1S/C11H11ClFN3O/c1-6-3-4-9(17-6)7(2)15-10-8(13)5-14-11(12)16-10/h3-5,7H,1-2H3,(H,14,15,16)
InChIKeyIEEBAKXGWSDMCV-UHFFFAOYSA-N
MW255.68 g/mol
LogP3.34
Rot. Bonds3

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

2-chloro-5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 79081354) has the molecular formula C11H11ClFN3O and a molecular weight of 255.68 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine
PubChem CID79081354
Molecular FormulaC11H11ClFN3O
Molecular Weight255.68 g/mol
Exact Mass255.06
IUPAC Name2-chloro-5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine
SMILESCc1ccc(C(C)Nc2nc(Cl)ncc2F)o1
InChIInChI=1S/C11H11ClFN3O/c1-6-3-4-9(17-6)7(2)15-10-8(13)5-14-11(12)16-10/h3-5,7H,1-2H3,(H,14,15,16)
InChIKeyIEEBAKXGWSDMCV-UHFFFAOYSA-N
XLogP3.34
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 53.34
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-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine (CID 79081354) is 2-chloro-5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine is Cc1ccc(C(C)Nc2nc(Cl)ncc2F)o1.
What is the InChIKey of 2-chloro-5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is IEEBAKXGWSDMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O/c1-6-3-4-9(17-6)7(2)15-10-8(13)5-14-11(12)16-10/h3-5,7H,1-2H3,(H,14,15,16).
What are the key properties of 2-chloro-5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine?
2-chloro-5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine has a molecular weight of 255.68 g/mol, XLogP of 3.34, 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-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 79081354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).