5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine

C12H18FN3O — CID 113253015

IUPAC5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine
SMILESCOC1CC(Nc2ncnc(C)c2F)C1(C)C
InChIInChI=1S/C12H18FN3O/c1-7-10(13)11(15-6-14-7)16-8-5-9(17-4)12(8,2)3/h6,8-9H,5H2,1-4H3,(H,14,15,16)
InChIKeyGXNFYGXZGZFJHY-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.15
Rot. Bonds3

About 5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine

5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine (PubChem CID 113253015) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine
PubChem CID113253015
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine
SMILESCOC1CC(Nc2ncnc(C)c2F)C1(C)C
InChIInChI=1S/C12H18FN3O/c1-7-10(13)11(15-6-14-7)16-8-5-9(17-4)12(8,2)3/h6,8-9H,5H2,1-4H3,(H,14,15,16)
InChIKeyGXNFYGXZGZFJHY-UHFFFAOYSA-N
XLogP2.15
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine (CID 113253015) is 5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine is COC1CC(Nc2ncnc(C)c2F)C1(C)C.
What is the InChIKey of 5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine?
The InChIKey is GXNFYGXZGZFJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c1-7-10(13)11(15-6-14-7)16-8-5-9(17-4)12(8,2)3/h6,8-9H,5H2,1-4H3,(H,14,15,16).
What are the key properties of 5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine?
5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine has a molecular weight of 239.29 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(3-methoxy-2,2-dimethylcyclobutyl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 113253015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).