2-chloro-5-fluoro-N-(oxolan-3-yl)pyrimidin-4-amine

C8H9ClFN3O — CID 80713426

IUPAC2-chloro-5-fluoro-N-(oxolan-3-yl)pyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NC1CCOC1
InChIInChI=1S/C8H9ClFN3O/c9-8-11-3-6(10)7(13-8)12-5-1-2-14-4-5/h3,5H,1-2,4H2,(H,11,12,13)
InChIKeySNEIUHMWKWSAAT-UHFFFAOYSA-N
MW217.63 g/mol
LogP1.47
Rot. Bonds2

About 2-chloro-5-fluoro-N-(oxolan-3-yl)pyrimidin-4-amine

2-chloro-5-fluoro-N-(oxolan-3-yl)pyrimidin-4-amine (PubChem CID 80713426) has the molecular formula C8H9ClFN3O and a molecular weight of 217.63 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(oxolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(oxolan-3-yl)pyrimidin-4-amine
PubChem CID80713426
Molecular FormulaC8H9ClFN3O
Molecular Weight217.63 g/mol
Exact Mass217.04
IUPAC Name2-chloro-5-fluoro-N-(oxolan-3-yl)pyrimidin-4-amine
SMILESFc1cnc(Cl)nc1NC1CCOC1
InChIInChI=1S/C8H9ClFN3O/c9-8-11-3-6(10)7(13-8)12-5-1-2-14-4-5/h3,5H,1-2,4H2,(H,11,12,13)
InChIKeySNEIUHMWKWSAAT-UHFFFAOYSA-N
XLogP1.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.63
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(oxolan-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-(oxolan-3-yl)pyrimidin-4-amine (CID 80713426) is 2-chloro-5-fluoro-N-(oxolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-(oxolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-(oxolan-3-yl)pyrimidin-4-amine is Fc1cnc(Cl)nc1NC1CCOC1.
What is the InChIKey of 2-chloro-5-fluoro-N-(oxolan-3-yl)pyrimidin-4-amine?
The InChIKey is SNEIUHMWKWSAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFN3O/c9-8-11-3-6(10)7(13-8)12-5-1-2-14-4-5/h3,5H,1-2,4H2,(H,11,12,13).
What are the key properties of 2-chloro-5-fluoro-N-(oxolan-3-yl)pyrimidin-4-amine?
2-chloro-5-fluoro-N-(oxolan-3-yl)pyrimidin-4-amine has a molecular weight of 217.63 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(oxolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 80713426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).