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

C25H25N5O2 — CID 27476189

IUPACN-(3,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2c(-n3nc(C)cc3C)nc(-c3ccccc3)cc2=O)c1
InChIInChI=1S/C25H25N5O2/c1-16-10-17(2)12-21(11-16)26-23(31)15-29-24(32)14-22(20-8-6-5-7-9-20)27-25(29)30-19(4)13-18(3)28-30/h5-14H,15H2,1-4H3,(H,26,31)
InChIKeyFLWYZIUTPCVCSI-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.97
Rot. Bonds5

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

N-(3,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide (PubChem CID 27476189) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide
PubChem CID27476189
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC NameN-(3,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2c(-n3nc(C)cc3C)nc(-c3ccccc3)cc2=O)c1
InChIInChI=1S/C25H25N5O2/c1-16-10-17(2)12-21(11-16)26-23(31)15-29-24(32)14-22(20-8-6-5-7-9-20)27-25(29)30-19(4)13-18(3)28-30/h5-14H,15H2,1-4H3,(H,26,31)
InChIKeyFLWYZIUTPCVCSI-UHFFFAOYSA-N
XLogP3.97
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide
CID 27477341
N-cyclopentyl-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide
CID 7588433
2-(3,5-dimethylpyrazol-1-yl)-3-(2-morpholin-4-yl-2-oxoethyl)-6-phenylpyrimidin-4-one
CID 7386765
2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 7588316
N-(4-acetylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]acetamide
CID 7588341
N-(3,5-dimethylphenyl)-2-(4-ethyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide
CID 91887464
2-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 7254152
2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 7588338
N-(3,5-dimethylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
CID 3482567
N-(4-acetamidophenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4,5-dimethyl-6-oxopyrimidin-1-yl]acetamide
CID 7588260
N-(2,3-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-6-oxopyrimidin-1-yl]acetamide
CID 18567052
2-[2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-6-oxopyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 16835863

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide (CID 27476189) is N-(3,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide is Cc1cc(C)cc(NC(=O)Cn2c(-n3nc(C)cc3C)nc(-c3ccccc3)cc2=O)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide?
The InChIKey is FLWYZIUTPCVCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-16-10-17(2)12-21(11-16)26-23(31)15-29-24(32)14-22(20-8-6-5-7-9-20)27-25(29)30-19(4)13-18(3)28-30/h5-14H,15H2,1-4H3,(H,26,31).
What are the key properties of N-(3,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide?
N-(3,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide has a molecular weight of 427.51 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide is sourced from PubChem (CID 27476189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).