N-(2,5-dimethylphenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide

C21H28N4O2 — CID 91904058

IUPACN-(2,5-dimethylphenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2c(N3CCC(C)CC3)nc(C)cc2=O)c1
InChIInChI=1S/C21H28N4O2/c1-14-7-9-24(10-8-14)21-22-17(4)12-20(27)25(21)13-19(26)23-18-11-15(2)5-6-16(18)3/h5-6,11-12,14H,7-10,13H2,1-4H3,(H,23,26)
InChIKeyMWPWXQOSPVZVGA-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.04
Rot. Bonds4

About N-(2,5-dimethylphenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide

N-(2,5-dimethylphenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide (PubChem CID 91904058) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide
PubChem CID91904058
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-(2,5-dimethylphenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2c(N3CCC(C)CC3)nc(C)cc2=O)c1
InChIInChI=1S/C21H28N4O2/c1-14-7-9-24(10-8-14)21-22-17(4)12-20(27)25(21)13-19(26)23-18-11-15(2)5-6-16(18)3/h5-6,11-12,14H,7-10,13H2,1-4H3,(H,23,26)
InChIKeyMWPWXQOSPVZVGA-UHFFFAOYSA-N
XLogP3.04
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide (CID 91904058) is N-(2,5-dimethylphenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide is Cc1ccc(C)c(NC(=O)Cn2c(N3CCC(C)CC3)nc(C)cc2=O)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is MWPWXQOSPVZVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-14-7-9-24(10-8-14)21-22-17(4)12-20(27)25(21)13-19(26)23-18-11-15(2)5-6-16(18)3/h5-6,11-12,14H,7-10,13H2,1-4H3,(H,23,26).
What are the key properties of N-(2,5-dimethylphenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide?
N-(2,5-dimethylphenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[4-methyl-2-(4-methylpiperidin-1-yl)-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 91904058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).