2-chloro-N-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-4-amine

C9H12ClFN4 — CID 130702728

IUPAC2-chloro-N-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-4-amine
SMILESCCN1CC(Nc2nc(Cl)ncc2F)C1
InChIInChI=1S/C9H12ClFN4/c1-2-15-4-6(5-15)13-8-7(11)3-12-9(10)14-8/h3,6H,2,4-5H2,1H3,(H,12,13,14)
InChIKeyLRHRLQJBAURXSV-UHFFFAOYSA-N
MW230.67 g/mol
LogP1.39
Rot. Bonds3

About 2-chloro-N-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-4-amine

2-chloro-N-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-4-amine (PubChem CID 130702728) has the molecular formula C9H12ClFN4 and a molecular weight of 230.67 g/mol. Its IUPAC name is 2-chloro-N-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-4-amine
PubChem CID130702728
Molecular FormulaC9H12ClFN4
Molecular Weight230.67 g/mol
Exact Mass230.07
IUPAC Name2-chloro-N-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-4-amine
SMILESCCN1CC(Nc2nc(Cl)ncc2F)C1
InChIInChI=1S/C9H12ClFN4/c1-2-15-4-6(5-15)13-8-7(11)3-12-9(10)14-8/h3,6H,2,4-5H2,1H3,(H,12,13,14)
InChIKeyLRHRLQJBAURXSV-UHFFFAOYSA-N
XLogP1.39
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-4-amine (CID 130702728) is 2-chloro-N-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-4-amine is CCN1CC(Nc2nc(Cl)ncc2F)C1.
What is the InChIKey of 2-chloro-N-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-4-amine?
The InChIKey is LRHRLQJBAURXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClFN4/c1-2-15-4-6(5-15)13-8-7(11)3-12-9(10)14-8/h3,6H,2,4-5H2,1H3,(H,12,13,14).
What are the key properties of 2-chloro-N-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-4-amine?
2-chloro-N-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-4-amine has a molecular weight of 230.67 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-ethylazetidin-3-yl)-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 130702728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).