6-ethyl-5-fluoro-N-(furan-3-ylmethyl)pyrimidin-4-amine

C11H12FN3O — CID 103879969

IUPAC6-ethyl-5-fluoro-N-(furan-3-ylmethyl)pyrimidin-4-amine
SMILESCCc1ncnc(NCc2ccoc2)c1F
InChIInChI=1S/C11H12FN3O/c1-2-9-10(12)11(15-7-14-9)13-5-8-3-4-16-6-8/h3-4,6-7H,2,5H2,1H3,(H,13,14,15)
InChIKeyYCBOLMCZUTZYLQ-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.38
Rot. Bonds4

About 6-ethyl-5-fluoro-N-(furan-3-ylmethyl)pyrimidin-4-amine

6-ethyl-5-fluoro-N-(furan-3-ylmethyl)pyrimidin-4-amine (PubChem CID 103879969) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-(furan-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-(furan-3-ylmethyl)pyrimidin-4-amine
PubChem CID103879969
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name6-ethyl-5-fluoro-N-(furan-3-ylmethyl)pyrimidin-4-amine
SMILESCCc1ncnc(NCc2ccoc2)c1F
InChIInChI=1S/C11H12FN3O/c1-2-9-10(12)11(15-7-14-9)13-5-8-3-4-16-6-8/h3-4,6-7H,2,5H2,1H3,(H,13,14,15)
InChIKeyYCBOLMCZUTZYLQ-UHFFFAOYSA-N
XLogP2.38
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-(furan-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-(furan-3-ylmethyl)pyrimidin-4-amine (CID 103879969) is 6-ethyl-5-fluoro-N-(furan-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-(furan-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-(furan-3-ylmethyl)pyrimidin-4-amine is CCc1ncnc(NCc2ccoc2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-(furan-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is YCBOLMCZUTZYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-2-9-10(12)11(15-7-14-9)13-5-8-3-4-16-6-8/h3-4,6-7H,2,5H2,1H3,(H,13,14,15).
What are the key properties of 6-ethyl-5-fluoro-N-(furan-3-ylmethyl)pyrimidin-4-amine?
6-ethyl-5-fluoro-N-(furan-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 221.24 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-(furan-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 103879969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).