N-(2-cyclobutylethyl)-5-fluoro-6-methylpyrimidin-4-amine

C11H16FN3 — CID 103748708

IUPACN-(2-cyclobutylethyl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1ncnc(NCCC2CCC2)c1F
InChIInChI=1S/C11H16FN3/c1-8-10(12)11(15-7-14-8)13-6-5-9-3-2-4-9/h7,9H,2-6H2,1H3,(H,13,14,15)
InChIKeyYCDZTRHHMARQKU-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.53
Rot. Bonds4

About N-(2-cyclobutylethyl)-5-fluoro-6-methylpyrimidin-4-amine

N-(2-cyclobutylethyl)-5-fluoro-6-methylpyrimidin-4-amine (PubChem CID 103748708) has the molecular formula C11H16FN3 and a molecular weight of 209.27 g/mol. Its IUPAC name is N-(2-cyclobutylethyl)-5-fluoro-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-cyclobutylethyl)-5-fluoro-6-methylpyrimidin-4-amine
PubChem CID103748708
Molecular FormulaC11H16FN3
Molecular Weight209.27 g/mol
Exact Mass209.13
IUPAC NameN-(2-cyclobutylethyl)-5-fluoro-6-methylpyrimidin-4-amine
SMILESCc1ncnc(NCCC2CCC2)c1F
InChIInChI=1S/C11H16FN3/c1-8-10(12)11(15-7-14-8)13-6-5-9-3-2-4-9/h7,9H,2-6H2,1H3,(H,13,14,15)
InChIKeyYCDZTRHHMARQKU-UHFFFAOYSA-N
XLogP2.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutylethyl)-5-fluoro-6-methylpyrimidin-4-amine?
The IUPAC name of N-(2-cyclobutylethyl)-5-fluoro-6-methylpyrimidin-4-amine (CID 103748708) is N-(2-cyclobutylethyl)-5-fluoro-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2-cyclobutylethyl)-5-fluoro-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(2-cyclobutylethyl)-5-fluoro-6-methylpyrimidin-4-amine is Cc1ncnc(NCCC2CCC2)c1F.
What is the InChIKey of N-(2-cyclobutylethyl)-5-fluoro-6-methylpyrimidin-4-amine?
The InChIKey is YCDZTRHHMARQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3/c1-8-10(12)11(15-7-14-8)13-6-5-9-3-2-4-9/h7,9H,2-6H2,1H3,(H,13,14,15).
What are the key properties of N-(2-cyclobutylethyl)-5-fluoro-6-methylpyrimidin-4-amine?
N-(2-cyclobutylethyl)-5-fluoro-6-methylpyrimidin-4-amine has a molecular weight of 209.27 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutylethyl)-5-fluoro-6-methylpyrimidin-4-amine is sourced from PubChem (CID 103748708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).