4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide

C16H17FN4O2 — CID 59509099

IUPAC4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1-c1cc(NC(=O)C2CC(F)CN2)ncn1
InChIInChI=1S/C16H17FN4O2/c1-23-14-5-3-2-4-11(14)12-7-15(20-9-19-12)21-16(22)13-6-10(17)8-18-13/h2-5,7,9-10,13,18H,6,8H2,1H3,(H,19,20,21,22)
InChIKeyVMDUIZUVXAZRBA-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.79
Rot. Bonds4

About 4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide

4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 59509099) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID59509099
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide
SMILESCOc1ccccc1-c1cc(NC(=O)C2CC(F)CN2)ncn1
InChIInChI=1S/C16H17FN4O2/c1-23-14-5-3-2-4-11(14)12-7-15(20-9-19-12)21-16(22)13-6-10(17)8-18-13/h2-5,7,9-10,13,18H,6,8H2,1H3,(H,19,20,21,22)
InChIKeyVMDUIZUVXAZRBA-UHFFFAOYSA-N
XLogP1.79
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide (CID 59509099) is 4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide is COc1ccccc1-c1cc(NC(=O)C2CC(F)CN2)ncn1.
What is the InChIKey of 4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is VMDUIZUVXAZRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c1-23-14-5-3-2-4-11(14)12-7-15(20-9-19-12)21-16(22)13-6-10(17)8-18-13/h2-5,7,9-10,13,18H,6,8H2,1H3,(H,19,20,21,22).
What are the key properties of 4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide?
4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 316.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[6-(2-methoxyphenyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 59509099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).