5-fluoro-N-methyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine

C11H17FN4 — CID 80764268

IUPAC5-fluoro-N-methyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CCCC(C)C2)n1
InChIInChI=1S/C11H17FN4/c1-8-4-3-5-16(7-8)10-9(12)6-14-11(13-2)15-10/h6,8H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyQMNXKEGYQBFGAU-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.89
Rot. Bonds2

About 5-fluoro-N-methyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine

5-fluoro-N-methyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 80764268) has the molecular formula C11H17FN4 and a molecular weight of 224.28 g/mol. Its IUPAC name is 5-fluoro-N-methyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID80764268
Molecular FormulaC11H17FN4
Molecular Weight224.28 g/mol
Exact Mass224.14
IUPAC Name5-fluoro-N-methyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCNc1ncc(F)c(N2CCCC(C)C2)n1
InChIInChI=1S/C11H17FN4/c1-8-4-3-5-16(7-8)10-9(12)6-14-11(13-2)15-10/h6,8H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyQMNXKEGYQBFGAU-UHFFFAOYSA-N
XLogP1.89
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine (CID 80764268) is 5-fluoro-N-methyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine is CNc1ncc(F)c(N2CCCC(C)C2)n1.
What is the InChIKey of 5-fluoro-N-methyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is QMNXKEGYQBFGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4/c1-8-4-3-5-16(7-8)10-9(12)6-14-11(13-2)15-10/h6,8H,3-5,7H2,1-2H3,(H,13,14,15).
What are the key properties of 5-fluoro-N-methyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine?
5-fluoro-N-methyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 224.28 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 80764268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).