4-cyclobutyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine

C11H16FN3O — CID 143883717

IUPAC4-cyclobutyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine
SMILESCOc1nc(N(C)C)nc(C2CCC2)c1F
InChIInChI=1S/C11H16FN3O/c1-15(2)11-13-9(7-5-4-6-7)8(12)10(14-11)16-3/h7H,4-6H2,1-3H3
InChIKeyOQDNIUWVRCNFBO-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.96
Rot. Bonds3

About 4-cyclobutyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine

4-cyclobutyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine (PubChem CID 143883717) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 4-cyclobutyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclobutyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine
PubChem CID143883717
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name4-cyclobutyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine
SMILESCOc1nc(N(C)C)nc(C2CCC2)c1F
InChIInChI=1S/C11H16FN3O/c1-15(2)11-13-9(7-5-4-6-7)8(12)10(14-11)16-3/h7H,4-6H2,1-3H3
InChIKeyOQDNIUWVRCNFBO-UHFFFAOYSA-N
XLogP1.96
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-cyclobutyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine (CID 143883717) is 4-cyclobutyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-cyclobutyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-cyclobutyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine is COc1nc(N(C)C)nc(C2CCC2)c1F.
What is the InChIKey of 4-cyclobutyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine?
The InChIKey is OQDNIUWVRCNFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-15(2)11-13-9(7-5-4-6-7)8(12)10(14-11)16-3/h7H,4-6H2,1-3H3.
What are the key properties of 4-cyclobutyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine?
4-cyclobutyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine has a molecular weight of 225.27 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 143883717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).