N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide

C17H19FN4O2 — CID 59509149

IUPACN-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)CN2CCCC2)ncn1
InChIInChI=1S/C17H19FN4O2/c1-24-15-5-4-12(18)8-13(15)14-9-16(20-11-19-14)21-17(23)10-22-6-2-3-7-22/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,19,20,21,23)
InChIKeyGLBCQQXLEVQPRZ-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.33
Rot. Bonds5

About N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide

N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide (PubChem CID 59509149) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide
PubChem CID59509149
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC NameN-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)CN2CCCC2)ncn1
InChIInChI=1S/C17H19FN4O2/c1-24-15-5-4-12(18)8-13(15)14-9-16(20-11-19-14)21-17(23)10-22-6-2-3-7-22/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,19,20,21,23)
InChIKeyGLBCQQXLEVQPRZ-UHFFFAOYSA-N
XLogP2.33
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide (CID 59509149) is N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide is COc1ccc(F)cc1-c1cc(NC(=O)CN2CCCC2)ncn1.
What is the InChIKey of N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is GLBCQQXLEVQPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-24-15-5-4-12(18)8-13(15)14-9-16(20-11-19-14)21-17(23)10-22-6-2-3-7-22/h4-5,8-9,11H,2-3,6-7,10H2,1H3,(H,19,20,21,23).
What are the key properties of N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide?
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 330.36 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 59509149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).