2-chloro-5-(3-fluorooxetan-3-yl)pyrimidin-4-amine

C7H7ClFN3O — CID 169119235

IUPAC2-chloro-5-(3-fluorooxetan-3-yl)pyrimidin-4-amine
SMILESNc1nc(Cl)ncc1C1(F)COC1
InChIInChI=1S/C7H7ClFN3O/c8-6-11-1-4(5(10)12-6)7(9)2-13-3-7/h1H,2-3H2,(H2,10,11,12)
InChIKeyBZSZZTSXFBNSGB-UHFFFAOYSA-N
MW203.60 g/mol
LogP0.91
Rot. Bonds1

About 2-chloro-5-(3-fluorooxetan-3-yl)pyrimidin-4-amine

2-chloro-5-(3-fluorooxetan-3-yl)pyrimidin-4-amine (PubChem CID 169119235) has the molecular formula C7H7ClFN3O and a molecular weight of 203.60 g/mol. Its IUPAC name is 2-chloro-5-(3-fluorooxetan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-(3-fluorooxetan-3-yl)pyrimidin-4-amine
PubChem CID169119235
Molecular FormulaC7H7ClFN3O
Molecular Weight203.60 g/mol
Exact Mass203.03
IUPAC Name2-chloro-5-(3-fluorooxetan-3-yl)pyrimidin-4-amine
SMILESNc1nc(Cl)ncc1C1(F)COC1
InChIInChI=1S/C7H7ClFN3O/c8-6-11-1-4(5(10)12-6)7(9)2-13-3-7/h1H,2-3H2,(H2,10,11,12)
InChIKeyBZSZZTSXFBNSGB-UHFFFAOYSA-N
XLogP0.91
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.60
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-fluorooxetan-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-(3-fluorooxetan-3-yl)pyrimidin-4-amine (CID 169119235) is 2-chloro-5-(3-fluorooxetan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-(3-fluorooxetan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-(3-fluorooxetan-3-yl)pyrimidin-4-amine is Nc1nc(Cl)ncc1C1(F)COC1.
What is the InChIKey of 2-chloro-5-(3-fluorooxetan-3-yl)pyrimidin-4-amine?
The InChIKey is BZSZZTSXFBNSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClFN3O/c8-6-11-1-4(5(10)12-6)7(9)2-13-3-7/h1H,2-3H2,(H2,10,11,12).
What are the key properties of 2-chloro-5-(3-fluorooxetan-3-yl)pyrimidin-4-amine?
2-chloro-5-(3-fluorooxetan-3-yl)pyrimidin-4-amine has a molecular weight of 203.60 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-fluorooxetan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 169119235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).