N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide

C19H20FN5O3 — CID 135551724

IUPACN-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide
SMILESCCc1c(C)nc(-n2nc(C)cc2NC(=O)COc2ccccc2F)[nH]c1=O
InChIInChI=1S/C19H20FN5O3/c1-4-13-12(3)21-19(23-18(13)27)25-16(9-11(2)24-25)22-17(26)10-28-15-8-6-5-7-14(15)20/h5-9H,4,10H2,1-3H3,(H,22,26)(H,21,23,27)
InChIKeyNSTWVRAZUMGRGX-UHFFFAOYSA-N
MW385.40 g/mol
LogP2.29
Rot. Bonds6

About N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide

N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide (PubChem CID 135551724) has the molecular formula C19H20FN5O3 and a molecular weight of 385.40 g/mol. Its IUPAC name is N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide
PubChem CID135551724
Molecular FormulaC19H20FN5O3
Molecular Weight385.40 g/mol
Exact Mass385.16
IUPAC NameN-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide
SMILESCCc1c(C)nc(-n2nc(C)cc2NC(=O)COc2ccccc2F)[nH]c1=O
InChIInChI=1S/C19H20FN5O3/c1-4-13-12(3)21-19(23-18(13)27)25-16(9-11(2)24-25)22-17(26)10-28-15-8-6-5-7-14(15)20/h5-9H,4,10H2,1-3H3,(H,22,26)(H,21,23,27)
InChIKeyNSTWVRAZUMGRGX-UHFFFAOYSA-N
XLogP2.29
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide (CID 135551724) is N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide is CCc1c(C)nc(-n2nc(C)cc2NC(=O)COc2ccccc2F)[nH]c1=O.
What is the InChIKey of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is NSTWVRAZUMGRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3/c1-4-13-12(3)21-19(23-18(13)27)25-16(9-11(2)24-25)22-17(26)10-28-15-8-6-5-7-14(15)20/h5-9H,4,10H2,1-3H3,(H,22,26)(H,21,23,27).
What are the key properties of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide?
N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 385.40 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 135551724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).