4-(3-cyclobutylpyrrolidin-1-yl)-5-fluoro-N,N-dimethylpyrimidin-2-amine

C14H21FN4 — CID 134372174

IUPAC4-(3-cyclobutylpyrrolidin-1-yl)-5-fluoro-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1ncc(F)c(N2CCC(C3CCC3)C2)n1
InChIInChI=1S/C14H21FN4/c1-18(2)14-16-8-12(15)13(17-14)19-7-6-11(9-19)10-4-3-5-10/h8,10-11H,3-7,9H2,1-2H3
InChIKeyGGNMSSYPNYWHPF-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.31
Rot. Bonds3

About 4-(3-cyclobutylpyrrolidin-1-yl)-5-fluoro-N,N-dimethylpyrimidin-2-amine

4-(3-cyclobutylpyrrolidin-1-yl)-5-fluoro-N,N-dimethylpyrimidin-2-amine (PubChem CID 134372174) has the molecular formula C14H21FN4 and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-(3-cyclobutylpyrrolidin-1-yl)-5-fluoro-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-cyclobutylpyrrolidin-1-yl)-5-fluoro-N,N-dimethylpyrimidin-2-amine
PubChem CID134372174
Molecular FormulaC14H21FN4
Molecular Weight264.35 g/mol
Exact Mass264.18
IUPAC Name4-(3-cyclobutylpyrrolidin-1-yl)-5-fluoro-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1ncc(F)c(N2CCC(C3CCC3)C2)n1
InChIInChI=1S/C14H21FN4/c1-18(2)14-16-8-12(15)13(17-14)19-7-6-11(9-19)10-4-3-5-10/h8,10-11H,3-7,9H2,1-2H3
InChIKeyGGNMSSYPNYWHPF-UHFFFAOYSA-N
XLogP2.31
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclobutylpyrrolidin-1-yl)-5-fluoro-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(3-cyclobutylpyrrolidin-1-yl)-5-fluoro-N,N-dimethylpyrimidin-2-amine (CID 134372174) is 4-(3-cyclobutylpyrrolidin-1-yl)-5-fluoro-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-cyclobutylpyrrolidin-1-yl)-5-fluoro-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(3-cyclobutylpyrrolidin-1-yl)-5-fluoro-N,N-dimethylpyrimidin-2-amine is CN(C)c1ncc(F)c(N2CCC(C3CCC3)C2)n1.
What is the InChIKey of 4-(3-cyclobutylpyrrolidin-1-yl)-5-fluoro-N,N-dimethylpyrimidin-2-amine?
The InChIKey is GGNMSSYPNYWHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4/c1-18(2)14-16-8-12(15)13(17-14)19-7-6-11(9-19)10-4-3-5-10/h8,10-11H,3-7,9H2,1-2H3.
What are the key properties of 4-(3-cyclobutylpyrrolidin-1-yl)-5-fluoro-N,N-dimethylpyrimidin-2-amine?
4-(3-cyclobutylpyrrolidin-1-yl)-5-fluoro-N,N-dimethylpyrimidin-2-amine has a molecular weight of 264.35 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclobutylpyrrolidin-1-yl)-5-fluoro-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 134372174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).