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

C19H21N5O3 — CID 25138077

IUPACN-[6-(3,5-dimethoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide
SMILESCOc1cc(OC)cc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1
InChIInChI=1S/C19H21N5O3/c1-11-6-12(2)24(23-11)19-21-17(10-18(22-19)20-13(3)25)14-7-15(26-4)9-16(8-14)27-5/h6-10H,1-5H3,(H,20,21,22,25)
InChIKeyXGFRRYAZOMJDQL-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.92
Rot. Bonds5

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

N-[6-(3,5-dimethoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide (PubChem CID 25138077) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[6-(3,5-dimethoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide
PubChem CID25138077
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC NameN-[6-(3,5-dimethoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide
SMILESCOc1cc(OC)cc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1
InChIInChI=1S/C19H21N5O3/c1-11-6-12(2)24(23-11)19-21-17(10-18(22-19)20-13(3)25)14-7-15(26-4)9-16(8-14)27-5/h6-10H,1-5H3,(H,20,21,22,25)
InChIKeyXGFRRYAZOMJDQL-UHFFFAOYSA-N
XLogP2.92
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of N-[6-(3,5-dimethoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide (CID 25138077) is N-[6-(3,5-dimethoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[6-(3,5-dimethoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[6-(3,5-dimethoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide is COc1cc(OC)cc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1.
What is the InChIKey of N-[6-(3,5-dimethoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide?
The InChIKey is XGFRRYAZOMJDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-11-6-12(2)24(23-11)19-21-17(10-18(22-19)20-13(3)25)14-7-15(26-4)9-16(8-14)27-5/h6-10H,1-5H3,(H,20,21,22,25).
What are the key properties of N-[6-(3,5-dimethoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide?
N-[6-(3,5-dimethoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide has a molecular weight of 367.41 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethoxyphenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 25138077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).