1-[5-fluoro-6-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide

C13H20FN5O — CID 142072932

IUPAC1-[5-fluoro-6-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCCCNc1ncnc(N2CCCC(C(N)=O)C2)c1F
InChIInChI=1S/C13H20FN5O/c1-2-5-16-12-10(14)13(18-8-17-12)19-6-3-4-9(7-19)11(15)20/h8-9H,2-7H2,1H3,(H2,15,20)(H,16,17,18)
InChIKeyROCVJVQGCYSEHC-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.14
Rot. Bonds5

About 1-[5-fluoro-6-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide

1-[5-fluoro-6-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 142072932) has the molecular formula C13H20FN5O and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-[5-fluoro-6-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-fluoro-6-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide
PubChem CID142072932
Molecular FormulaC13H20FN5O
Molecular Weight281.33 g/mol
Exact Mass281.17
IUPAC Name1-[5-fluoro-6-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide
SMILESCCCNc1ncnc(N2CCCC(C(N)=O)C2)c1F
InChIInChI=1S/C13H20FN5O/c1-2-5-16-12-10(14)13(18-8-17-12)19-6-3-4-9(7-19)11(15)20/h8-9H,2-7H2,1H3,(H2,15,20)(H,16,17,18)
InChIKeyROCVJVQGCYSEHC-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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-6-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-fluoro-6-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide (CID 142072932) is 1-[5-fluoro-6-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-fluoro-6-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-fluoro-6-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide is CCCNc1ncnc(N2CCCC(C(N)=O)C2)c1F.
What is the InChIKey of 1-[5-fluoro-6-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide?
The InChIKey is ROCVJVQGCYSEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN5O/c1-2-5-16-12-10(14)13(18-8-17-12)19-6-3-4-9(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-6-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide?
1-[5-fluoro-6-(propylamino)pyrimidin-4-yl]piperidine-3-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-6-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 142072932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).