5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidine-2-carboxamide

C16H17FN4O2 — CID 122578512

IUPAC5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCC(c2cnc(OCc3ccccc3F)nc2)N1
InChIInChI=1S/C16H17FN4O2/c17-12-4-2-1-3-10(12)9-23-16-19-7-11(8-20-16)13-5-6-14(21-13)15(18)22/h1-4,7-8,13-14,21H,5-6,9H2,(H2,18,22)
InChIKeyAATFRTWMZUDCIA-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.47
Rot. Bonds5

About 5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidine-2-carboxamide

5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidine-2-carboxamide (PubChem CID 122578512) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidine-2-carboxamide
PubChem CID122578512
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCC(c2cnc(OCc3ccccc3F)nc2)N1
InChIInChI=1S/C16H17FN4O2/c17-12-4-2-1-3-10(12)9-23-16-19-7-11(8-20-16)13-5-6-14(21-13)15(18)22/h1-4,7-8,13-14,21H,5-6,9H2,(H2,18,22)
InChIKeyAATFRTWMZUDCIA-UHFFFAOYSA-N
XLogP1.47
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidine-2-carboxamide (CID 122578512) is 5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidine-2-carboxamide is NC(=O)C1CCC(c2cnc(OCc3ccccc3F)nc2)N1.
What is the InChIKey of 5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidine-2-carboxamide?
The InChIKey is AATFRTWMZUDCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c17-12-4-2-1-3-10(12)9-23-16-19-7-11(8-20-16)13-5-6-14(21-13)15(18)22/h1-4,7-8,13-14,21H,5-6,9H2,(H2,18,22).
What are the key properties of 5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidine-2-carboxamide?
5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidine-2-carboxamide has a molecular weight of 316.34 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2-fluorophenyl)methoxy]pyrimidin-5-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 122578512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).