2-(5,6-dimethyl-2-pyrazin-2-ylpyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide

C20H21N5O2 — CID 95922354

IUPAC2-(5,6-dimethyl-2-pyrazin-2-ylpyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)COc2nc(-c3cnccn3)nc(C)c2C)cc1
InChIInChI=1S/C20H21N5O2/c1-13-4-6-16(7-5-13)10-23-18(26)12-27-20-14(2)15(3)24-19(25-20)17-11-21-8-9-22-17/h4-9,11H,10,12H2,1-3H3,(H,23,26)
InChIKeyBSFSYJVCFUISDG-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.55
Rot. Bonds6

About 2-(5,6-dimethyl-2-pyrazin-2-ylpyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide

2-(5,6-dimethyl-2-pyrazin-2-ylpyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 95922354) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-(5,6-dimethyl-2-pyrazin-2-ylpyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-2-pyrazin-2-ylpyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide
PubChem CID95922354
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name2-(5,6-dimethyl-2-pyrazin-2-ylpyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)COc2nc(-c3cnccn3)nc(C)c2C)cc1
InChIInChI=1S/C20H21N5O2/c1-13-4-6-16(7-5-13)10-23-18(26)12-27-20-14(2)15(3)24-19(25-20)17-11-21-8-9-22-17/h4-9,11H,10,12H2,1-3H3,(H,23,26)
InChIKeyBSFSYJVCFUISDG-UHFFFAOYSA-N
XLogP2.55
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]oxy-N-[(4-methylphenyl)methyl]acetamide
CID 95922483
2-(5,6-dimethyl-2-pyrazin-2-ylpyrimidin-4-yl)oxy-N-(2-methoxyphenyl)acetamide
CID 95922351
N-[(4-methoxyphenyl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 45369782
3-(4-methylphenyl)-N-(pyrazin-2-ylmethyl)propanamide
CID 110483781
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 110487955
2-(4-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 43911022
2-(2-ethyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide
CID 46322035
2-(4-iodophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 7473183
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 42005185
N-[(4-methoxyphenyl)methyl]-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 48501757
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 25238116
N-[(4-methylphenyl)methyl]-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 3909766

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-2-pyrazin-2-ylpyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(5,6-dimethyl-2-pyrazin-2-ylpyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide (CID 95922354) is 2-(5,6-dimethyl-2-pyrazin-2-ylpyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-2-pyrazin-2-ylpyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(5,6-dimethyl-2-pyrazin-2-ylpyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)COc2nc(-c3cnccn3)nc(C)c2C)cc1.
What is the InChIKey of 2-(5,6-dimethyl-2-pyrazin-2-ylpyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is BSFSYJVCFUISDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13-4-6-16(7-5-13)10-23-18(26)12-27-20-14(2)15(3)24-19(25-20)17-11-21-8-9-22-17/h4-9,11H,10,12H2,1-3H3,(H,23,26).
What are the key properties of 2-(5,6-dimethyl-2-pyrazin-2-ylpyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide?
2-(5,6-dimethyl-2-pyrazin-2-ylpyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 363.42 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-2-pyrazin-2-ylpyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 95922354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).