N-(3-ethoxycyclobutyl)-5-fluoro-6-methylpyrimidin-4-amine

C11H16FN3O — CID 102609291

IUPACN-(3-ethoxycyclobutyl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESCCOC1CC(Nc2ncnc(C)c2F)C1
InChIInChI=1S/C11H16FN3O/c1-3-16-9-4-8(5-9)15-11-10(12)7(2)13-6-14-11/h6,8-9H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyVILBVEFPGJDJJI-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.90
Rot. Bonds4

About N-(3-ethoxycyclobutyl)-5-fluoro-6-methylpyrimidin-4-amine

N-(3-ethoxycyclobutyl)-5-fluoro-6-methylpyrimidin-4-amine (PubChem CID 102609291) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is N-(3-ethoxycyclobutyl)-5-fluoro-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-ethoxycyclobutyl)-5-fluoro-6-methylpyrimidin-4-amine
PubChem CID102609291
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC NameN-(3-ethoxycyclobutyl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESCCOC1CC(Nc2ncnc(C)c2F)C1
InChIInChI=1S/C11H16FN3O/c1-3-16-9-4-8(5-9)15-11-10(12)7(2)13-6-14-11/h6,8-9H,3-5H2,1-2H3,(H,13,14,15)
InChIKeyVILBVEFPGJDJJI-UHFFFAOYSA-N
XLogP1.90
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxycyclobutyl)-5-fluoro-6-methylpyrimidin-4-amine?
The IUPAC name of N-(3-ethoxycyclobutyl)-5-fluoro-6-methylpyrimidin-4-amine (CID 102609291) is N-(3-ethoxycyclobutyl)-5-fluoro-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(3-ethoxycyclobutyl)-5-fluoro-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(3-ethoxycyclobutyl)-5-fluoro-6-methylpyrimidin-4-amine is CCOC1CC(Nc2ncnc(C)c2F)C1.
What is the InChIKey of N-(3-ethoxycyclobutyl)-5-fluoro-6-methylpyrimidin-4-amine?
The InChIKey is VILBVEFPGJDJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-3-16-9-4-8(5-9)15-11-10(12)7(2)13-6-14-11/h6,8-9H,3-5H2,1-2H3,(H,13,14,15).
What are the key properties of N-(3-ethoxycyclobutyl)-5-fluoro-6-methylpyrimidin-4-amine?
N-(3-ethoxycyclobutyl)-5-fluoro-6-methylpyrimidin-4-amine has a molecular weight of 225.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxycyclobutyl)-5-fluoro-6-methylpyrimidin-4-amine is sourced from PubChem (CID 102609291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).