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

C14H22FN5O — CID 80785095

IUPAC1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide
SMILESCCCNc1ncc(F)c(N2CCCCC2C(=O)NC)n1
InChIInChI=1S/C14H22FN5O/c1-3-7-17-14-18-9-10(15)12(19-14)20-8-5-4-6-11(20)13(21)16-2/h9,11H,3-8H2,1-2H3,(H,16,21)(H,17,18,19)
InChIKeyHKRIXTBLOMOOPZ-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.54
Rot. Bonds5

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

1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide (PubChem CID 80785095) has the molecular formula C14H22FN5O and a molecular weight of 295.36 g/mol. Its IUPAC name is 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide
PubChem CID80785095
Molecular FormulaC14H22FN5O
Molecular Weight295.36 g/mol
Exact Mass295.18
IUPAC Name1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide
SMILESCCCNc1ncc(F)c(N2CCCCC2C(=O)NC)n1
InChIInChI=1S/C14H22FN5O/c1-3-7-17-14-18-9-10(15)12(19-14)20-8-5-4-6-11(20)13(21)16-2/h9,11H,3-8H2,1-2H3,(H,16,21)(H,17,18,19)
InChIKeyHKRIXTBLOMOOPZ-UHFFFAOYSA-N
XLogP1.54
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide (CID 80785095) is 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide is CCCNc1ncc(F)c(N2CCCCC2C(=O)NC)n1.
What is the InChIKey of 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide?
The InChIKey is HKRIXTBLOMOOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN5O/c1-3-7-17-14-18-9-10(15)12(19-14)20-8-5-4-6-11(20)13(21)16-2/h9,11H,3-8H2,1-2H3,(H,16,21)(H,17,18,19).
What are the key properties of 1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide?
1-[5-fluoro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-2-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 1.54, 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]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 80785095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).