N-(3,4-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide

C25H25N5O4 — CID 27477341

IUPACN-(3,4-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2c(-n3nc(C)cc3C)nc(-c3ccccc3)cc2=O)cc1OC
InChIInChI=1S/C25H25N5O4/c1-16-12-17(2)30(28-16)25-27-20(18-8-6-5-7-9-18)14-24(32)29(25)15-23(31)26-19-10-11-21(33-3)22(13-19)34-4/h5-14H,15H2,1-4H3,(H,26,31)
InChIKeySMPXHWBAWCHDPG-UHFFFAOYSA-N
MW459.51 g/mol
LogP3.37
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide

N-(3,4-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide (PubChem CID 27477341) has the molecular formula C25H25N5O4 and a molecular weight of 459.51 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide
PubChem CID27477341
Molecular FormulaC25H25N5O4
Molecular Weight459.51 g/mol
Exact Mass459.19
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2c(-n3nc(C)cc3C)nc(-c3ccccc3)cc2=O)cc1OC
InChIInChI=1S/C25H25N5O4/c1-16-12-17(2)30(28-16)25-27-20(18-8-6-5-7-9-18)14-24(32)29(25)15-23(31)26-19-10-11-21(33-3)22(13-19)34-4/h5-14H,15H2,1-4H3,(H,26,31)
InChIKeySMPXHWBAWCHDPG-UHFFFAOYSA-N
XLogP3.37
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide
CID 27476189
2-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 7254152
N-cyclopentyl-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide
CID 7588433
N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 7747874
N-(5-chloro-2-methoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 7254172
2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-phenylpyrimidin-4-one
CID 7386765
N-(3,4-dimethoxyphenyl)-2-(4-oxo-2-pyridin-4-ylpyrimido[1,2-a]benzimidazol-10-yl)acetamide
CID 45031456
N-(4-acetylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]acetamide
CID 7588341
2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 7588338
N-(4-acetamidophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide
CID 7588260
N-(3,4-dimethoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224542
N-(3,4-dimethylphenyl)-2-(4-oxo-2-phenylpyrimido[1,2-a]benzimidazol-10-yl)acetamide
CID 45031629

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide (CID 27477341) is N-(3,4-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide is COc1ccc(NC(=O)Cn2c(-n3nc(C)cc3C)nc(-c3ccccc3)cc2=O)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide?
The InChIKey is SMPXHWBAWCHDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4/c1-16-12-17(2)30(28-16)25-27-20(18-8-6-5-7-9-18)14-24(32)29(25)15-23(31)26-19-10-11-21(33-3)22(13-19)34-4/h5-14H,15H2,1-4H3,(H,26,31).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide?
N-(3,4-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide has a molecular weight of 459.51 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide is sourced from PubChem (CID 27477341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).