2-chloro-5-fluoro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine

C10H9ClFN3O — CID 79081349

IUPAC2-chloro-5-fluoro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccoc1)c1nc(Cl)ncc1F
InChIInChI=1S/C10H9ClFN3O/c1-15(5-7-2-3-16-6-7)9-8(12)4-13-10(11)14-9/h2-4,6H,5H2,1H3
InChIKeyVTFJWYMLHNIPNH-UHFFFAOYSA-N
MW241.65 g/mol
LogP2.50
Rot. Bonds3

About 2-chloro-5-fluoro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine

2-chloro-5-fluoro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine (PubChem CID 79081349) has the molecular formula C10H9ClFN3O and a molecular weight of 241.65 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine
PubChem CID79081349
Molecular FormulaC10H9ClFN3O
Molecular Weight241.65 g/mol
Exact Mass241.04
IUPAC Name2-chloro-5-fluoro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccoc1)c1nc(Cl)ncc1F
InChIInChI=1S/C10H9ClFN3O/c1-15(5-7-2-3-16-6-7)9-8(12)4-13-10(11)14-9/h2-4,6H,5H2,1H3
InChIKeyVTFJWYMLHNIPNH-UHFFFAOYSA-N
XLogP2.50
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine (CID 79081349) is 2-chloro-5-fluoro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine is CN(Cc1ccoc1)c1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine?
The InChIKey is VTFJWYMLHNIPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O/c1-15(5-7-2-3-16-6-7)9-8(12)4-13-10(11)14-9/h2-4,6H,5H2,1H3.
What are the key properties of 2-chloro-5-fluoro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine?
2-chloro-5-fluoro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine has a molecular weight of 241.65 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(furan-3-ylmethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 79081349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).