N-(2,5-dimethylphenyl)-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide

C20H26N4O3 — CID 51364938

IUPACN-(2,5-dimethylphenyl)-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide
SMILESCOCc1cc(=O)n(CC(=O)Nc2cc(C)ccc2C)c(N2CCCC2)n1
InChIInChI=1S/C20H26N4O3/c1-14-6-7-15(2)17(10-14)22-18(25)12-24-19(26)11-16(13-27-3)21-20(24)23-8-4-5-9-23/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,22,25)
InChIKeyXXRJXAVPOZGZKE-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.25
Rot. Bonds6

About N-(2,5-dimethylphenyl)-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide

N-(2,5-dimethylphenyl)-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide (PubChem CID 51364938) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide
PubChem CID51364938
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-(2,5-dimethylphenyl)-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide
SMILESCOCc1cc(=O)n(CC(=O)Nc2cc(C)ccc2C)c(N2CCCC2)n1
InChIInChI=1S/C20H26N4O3/c1-14-6-7-15(2)17(10-14)22-18(25)12-24-19(26)11-16(13-27-3)21-20(24)23-8-4-5-9-23/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,22,25)
InChIKeyXXRJXAVPOZGZKE-UHFFFAOYSA-N
XLogP2.25
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 51364963
N-(2-chloro-6-methylphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide
CID 50926672
N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide
CID 51364970
2-(4-ethyl-2-morpholin-4-yl-6-oxopyrimidin-1-yl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 53201857
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
N-(4-fluoro-2-methylphenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
CID 53201691
N-(2-chlorophenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
CID 53201687
N-(2,5-dimethylphenyl)-2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.4.0.03,7]trideca-3(7),5,8-trien-4-yl)acetamide
CID 91908677
2-[2-amino-4-(methoxymethyl)-6-oxopyrimidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 53201796
N-(2,5-dimethylphenyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 19526490
N-(4-chlorophenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
CID 53201688
2-[2-amino-4-(methoxymethyl)-6-oxopyrimidin-1-yl]-N-(2-ethylphenyl)acetamide
CID 53201791

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide (CID 51364938) is N-(2,5-dimethylphenyl)-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide is COCc1cc(=O)n(CC(=O)Nc2cc(C)ccc2C)c(N2CCCC2)n1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide?
The InChIKey is XXRJXAVPOZGZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14-6-7-15(2)17(10-14)22-18(25)12-24-19(26)11-16(13-27-3)21-20(24)23-8-4-5-9-23/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,22,25).
What are the key properties of N-(2,5-dimethylphenyl)-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide?
N-(2,5-dimethylphenyl)-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide has a molecular weight of 370.45 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide is sourced from PubChem (CID 51364938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).