6-ethyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine

C9H12FN3O — CID 90249316

IUPAC6-ethyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine
SMILESCCc1ncnc(NC2COC2)c1F
InChIInChI=1S/C9H12FN3O/c1-2-7-8(10)9(12-5-11-7)13-6-3-14-4-6/h5-6H,2-4H2,1H3,(H,11,12,13)
InChIKeyAZZMAXIQWCFNBM-UHFFFAOYSA-N
MW197.21 g/mol
LogP0.99
Rot. Bonds3

About 6-ethyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine

6-ethyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine (PubChem CID 90249316) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 6-ethyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine
PubChem CID90249316
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name6-ethyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine
SMILESCCc1ncnc(NC2COC2)c1F
InChIInChI=1S/C9H12FN3O/c1-2-7-8(10)9(12-5-11-7)13-6-3-14-4-6/h5-6H,2-4H2,1H3,(H,11,12,13)
InChIKeyAZZMAXIQWCFNBM-UHFFFAOYSA-N
XLogP0.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine (CID 90249316) is 6-ethyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine is CCc1ncnc(NC2COC2)c1F.
What is the InChIKey of 6-ethyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine?
The InChIKey is AZZMAXIQWCFNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c1-2-7-8(10)9(12-5-11-7)13-6-3-14-4-6/h5-6H,2-4H2,1H3,(H,11,12,13).
What are the key properties of 6-ethyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine?
6-ethyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine has a molecular weight of 197.21 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 90249316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).