N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenoxy)acetamide

C19H21N5O4 — CID 135551553

IUPACN-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2cc(C)nn2-c2nc(C)c(C)c(=O)[nH]2)cc1
InChIInChI=1S/C19H21N5O4/c1-11-9-16(24(23-11)19-20-13(3)12(2)18(26)22-19)21-17(25)10-28-15-7-5-14(27-4)6-8-15/h5-9H,10H2,1-4H3,(H,21,25)(H,20,22,26)
InChIKeyIEDRXCCUHVMZCQ-UHFFFAOYSA-N
MW383.41 g/mol
LogP1.91
Rot. Bonds6

About N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenoxy)acetamide

N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenoxy)acetamide (PubChem CID 135551553) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenoxy)acetamide
PubChem CID135551553
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC NameN-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)Nc2cc(C)nn2-c2nc(C)c(C)c(=O)[nH]2)cc1
InChIInChI=1S/C19H21N5O4/c1-11-9-16(24(23-11)19-20-13(3)12(2)18(26)22-19)21-17(25)10-28-15-7-5-14(27-4)6-8-15/h5-9H,10H2,1-4H3,(H,21,25)(H,20,22,26)
InChIKeyIEDRXCCUHVMZCQ-UHFFFAOYSA-N
XLogP1.91
TPSA111.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenoxy)acetamide (CID 135551553) is N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)Nc2cc(C)nn2-c2nc(C)c(C)c(=O)[nH]2)cc1.
What is the InChIKey of N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenoxy)acetamide?
The InChIKey is IEDRXCCUHVMZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-11-9-16(24(23-11)19-20-13(3)12(2)18(26)22-19)21-17(25)10-28-15-7-5-14(27-4)6-8-15/h5-9H,10H2,1-4H3,(H,21,25)(H,20,22,26).
What are the key properties of N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenoxy)acetamide?
N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenoxy)acetamide has a molecular weight of 383.41 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 135551553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).