1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxamide

C10H14FN5O — CID 134504081

IUPAC1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncnc(N)c2F)CC1
InChIInChI=1S/C10H14FN5O/c11-7-8(12)14-5-15-10(7)16-3-1-6(2-4-16)9(13)17/h5-6H,1-4H2,(H2,13,17)(H2,12,14,15)
InChIKeyWKHQCRKGELOVHL-UHFFFAOYSA-N
MW239.25 g/mol
LogP-0.10
Rot. Bonds2

About 1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxamide

1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 134504081) has the molecular formula C10H14FN5O and a molecular weight of 239.25 g/mol. Its IUPAC name is 1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID134504081
Molecular FormulaC10H14FN5O
Molecular Weight239.25 g/mol
Exact Mass239.12
IUPAC Name1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncnc(N)c2F)CC1
InChIInChI=1S/C10H14FN5O/c11-7-8(12)14-5-15-10(7)16-3-1-6(2-4-16)9(13)17/h5-6H,1-4H2,(H2,13,17)(H2,12,14,15)
InChIKeyWKHQCRKGELOVHL-UHFFFAOYSA-N
XLogP-0.10
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxamide (CID 134504081) is 1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxamide is NC(=O)C1CCN(c2ncnc(N)c2F)CC1.
What is the InChIKey of 1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is WKHQCRKGELOVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN5O/c11-7-8(12)14-5-15-10(7)16-3-1-6(2-4-16)9(13)17/h5-6H,1-4H2,(H2,13,17)(H2,12,14,15).
What are the key properties of 1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxamide?
1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 239.25 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5-fluoropyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 134504081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).