2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide

C18H16FN5O2 — CID 59508965

IUPAC2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)C(N)c2cccnc2)ncn1
InChIInChI=1S/C18H16FN5O2/c1-26-15-5-4-12(19)7-13(15)14-8-16(23-10-22-14)24-18(25)17(20)11-3-2-6-21-9-11/h2-10,17H,20H2,1H3,(H,22,23,24,25)
InChIKeyDOFHNHZUZMUPBW-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.32
Rot. Bonds5

About 2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide

2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide (PubChem CID 59508965) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is 2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
PubChem CID59508965
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Name2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide
SMILESCOc1ccc(F)cc1-c1cc(NC(=O)C(N)c2cccnc2)ncn1
InChIInChI=1S/C18H16FN5O2/c1-26-15-5-4-12(19)7-13(15)14-8-16(23-10-22-14)24-18(25)17(20)11-3-2-6-21-9-11/h2-10,17H,20H2,1H3,(H,22,23,24,25)
InChIKeyDOFHNHZUZMUPBW-UHFFFAOYSA-N
XLogP2.32
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide?
The IUPAC name of 2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide (CID 59508965) is 2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide is COc1ccc(F)cc1-c1cc(NC(=O)C(N)c2cccnc2)ncn1.
What is the InChIKey of 2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide?
The InChIKey is DOFHNHZUZMUPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c1-26-15-5-4-12(19)7-13(15)14-8-16(23-10-22-14)24-18(25)17(20)11-3-2-6-21-9-11/h2-10,17H,20H2,1H3,(H,22,23,24,25).
What are the key properties of 2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide?
2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide has a molecular weight of 353.36 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 59508965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).