2-chloro-N-cyclobutyl-5-fluoro-N-methylpyrimidin-4-amine

C9H11ClFN3 — CID 87677869

IUPAC2-chloro-N-cyclobutyl-5-fluoro-N-methylpyrimidin-4-amine
SMILESCN(c1nc(Cl)ncc1F)C1CCC1
InChIInChI=1S/C9H11ClFN3/c1-14(6-3-2-4-6)8-7(11)5-12-9(10)13-8/h5-6H,2-4H2,1H3
InChIKeyQJFDPDAHGSZGKM-UHFFFAOYSA-N
MW215.66 g/mol
LogP2.26
Rot. Bonds2

About 2-chloro-N-cyclobutyl-5-fluoro-N-methylpyrimidin-4-amine

2-chloro-N-cyclobutyl-5-fluoro-N-methylpyrimidin-4-amine (PubChem CID 87677869) has the molecular formula C9H11ClFN3 and a molecular weight of 215.66 g/mol. Its IUPAC name is 2-chloro-N-cyclobutyl-5-fluoro-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-cyclobutyl-5-fluoro-N-methylpyrimidin-4-amine
PubChem CID87677869
Molecular FormulaC9H11ClFN3
Molecular Weight215.66 g/mol
Exact Mass215.06
IUPAC Name2-chloro-N-cyclobutyl-5-fluoro-N-methylpyrimidin-4-amine
SMILESCN(c1nc(Cl)ncc1F)C1CCC1
InChIInChI=1S/C9H11ClFN3/c1-14(6-3-2-4-6)8-7(11)5-12-9(10)13-8/h5-6H,2-4H2,1H3
InChIKeyQJFDPDAHGSZGKM-UHFFFAOYSA-N
XLogP2.26
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclobutyl-5-fluoro-N-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-cyclobutyl-5-fluoro-N-methylpyrimidin-4-amine (CID 87677869) is 2-chloro-N-cyclobutyl-5-fluoro-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-cyclobutyl-5-fluoro-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-cyclobutyl-5-fluoro-N-methylpyrimidin-4-amine is CN(c1nc(Cl)ncc1F)C1CCC1.
What is the InChIKey of 2-chloro-N-cyclobutyl-5-fluoro-N-methylpyrimidin-4-amine?
The InChIKey is QJFDPDAHGSZGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN3/c1-14(6-3-2-4-6)8-7(11)5-12-9(10)13-8/h5-6H,2-4H2,1H3.
What are the key properties of 2-chloro-N-cyclobutyl-5-fluoro-N-methylpyrimidin-4-amine?
2-chloro-N-cyclobutyl-5-fluoro-N-methylpyrimidin-4-amine has a molecular weight of 215.66 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclobutyl-5-fluoro-N-methylpyrimidin-4-amine is sourced from PubChem (CID 87677869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).