1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide

C11H16FN5O — CID 80754581

IUPAC1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCNc1ncc(F)c(N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C11H16FN5O/c1-14-11-15-6-8(12)10(16-11)17-4-2-7(3-5-17)9(13)18/h6-7H,2-5H2,1H3,(H2,13,18)(H,14,15,16)
InChIKeyQYGWIAIVBVMKHB-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.36
Rot. Bonds3

About 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide

1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 80754581) has the molecular formula C11H16FN5O and a molecular weight of 253.28 g/mol. Its IUPAC name is 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID80754581
Molecular FormulaC11H16FN5O
Molecular Weight253.28 g/mol
Exact Mass253.13
IUPAC Name1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCNc1ncc(F)c(N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C11H16FN5O/c1-14-11-15-6-8(12)10(16-11)17-4-2-7(3-5-17)9(13)18/h6-7H,2-5H2,1H3,(H2,13,18)(H,14,15,16)
InChIKeyQYGWIAIVBVMKHB-UHFFFAOYSA-N
XLogP0.36
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide (CID 80754581) is 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide is CNc1ncc(F)c(N2CCC(C(N)=O)CC2)n1.
What is the InChIKey of 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is QYGWIAIVBVMKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN5O/c1-14-11-15-6-8(12)10(16-11)17-4-2-7(3-5-17)9(13)18/h6-7H,2-5H2,1H3,(H2,13,18)(H,14,15,16).
What are the key properties of 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide?
1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 253.28 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 80754581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).