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

C13H20FN5O — CID 80754662

IUPAC1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCCCNc1ncc(F)c(N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C13H20FN5O/c1-2-5-16-13-17-8-10(14)12(18-13)19-6-3-9(4-7-19)11(15)20/h8-9H,2-7H2,1H3,(H2,15,20)(H,16,17,18)
InChIKeyDVIMKUSREWJSRL-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.14
Rot. Bonds5

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

1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 80754662) has the molecular formula C13H20FN5O and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID80754662
Molecular FormulaC13H20FN5O
Molecular Weight281.33 g/mol
Exact Mass281.17
IUPAC Name1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCCCNc1ncc(F)c(N2CCC(C(N)=O)CC2)n1
InChIInChI=1S/C13H20FN5O/c1-2-5-16-13-17-8-10(14)12(18-13)19-6-3-9(4-7-19)11(15)20/h8-9H,2-7H2,1H3,(H2,15,20)(H,16,17,18)
InChIKeyDVIMKUSREWJSRL-UHFFFAOYSA-N
XLogP1.14
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-fluoro-2-(propylamino)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-(propylamino)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidine-4-carboxamide (CID 80754662) is 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidine-4-carboxamide is CCCNc1ncc(F)c(N2CCC(C(N)=O)CC2)n1.
What is the InChIKey of 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is DVIMKUSREWJSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN5O/c1-2-5-16-13-17-8-10(14)12(18-13)19-6-3-9(4-7-19)11(15)20/h8-9H,2-7H2,1H3,(H2,15,20)(H,16,17,18).
What are the key properties of 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidine-4-carboxamide?
1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 281.33 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 80754662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).