2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide

C21H28N4O3 — CID 51364963

IUPAC2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
SMILESCOCc1cc(=O)n(CC(=O)Nc2cccc(C(C)C)c2)c(N2CCCC2)n1
InChIInChI=1S/C21H28N4O3/c1-15(2)16-7-6-8-17(11-16)22-19(26)13-25-20(27)12-18(14-28-3)23-21(25)24-9-4-5-10-24/h6-8,11-12,15H,4-5,9-10,13-14H2,1-3H3,(H,22,26)
InChIKeyLYEPGPKFDMDHBP-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.75
Rot. Bonds7

About 2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide

2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide (PubChem CID 51364963) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
PubChem CID51364963
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
SMILESCOCc1cc(=O)n(CC(=O)Nc2cccc(C(C)C)c2)c(N2CCCC2)n1
InChIInChI=1S/C21H28N4O3/c1-15(2)16-7-6-8-17(11-16)22-19(26)13-25-20(27)12-18(14-28-3)23-21(25)24-9-4-5-10-24/h6-8,11-12,15H,4-5,9-10,13-14H2,1-3H3,(H,22,26)
InChIKeyLYEPGPKFDMDHBP-UHFFFAOYSA-N
XLogP2.75
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,5-dimethylphenyl)-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide
CID 51364938
N-(2-chloro-6-methylphenyl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide
CID 50926672
N-[(3-bromophenyl)methyl]-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide
CID 51369876
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 134045501
N-(4-chlorophenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
CID 53201688
1-[2-oxo-2-(3-propan-2-ylanilino)ethyl]pyrrolidine-2-carboxylic acid
CID 43441925
2-[2-amino-4-(methoxymethyl)-6-oxopyrimidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 53201796
2-(2-formylpiperidin-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 62654256
2-[2-amino-4-(methoxymethyl)-6-oxopyrimidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 53201805
2-piperazin-1-yl-N-(3-propan-2-ylphenyl)acetamide
CID 29009163
N-(2,3-dihydro-1H-inden-1-yl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide
CID 51363395
2-(1,4-diazepan-1-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 43348732

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide (CID 51364963) is 2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide is COCc1cc(=O)n(CC(=O)Nc2cccc(C(C)C)c2)c(N2CCCC2)n1.
What is the InChIKey of 2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide?
The InChIKey is LYEPGPKFDMDHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-15(2)16-7-6-8-17(11-16)22-19(26)13-25-20(27)12-18(14-28-3)23-21(25)24-9-4-5-10-24/h6-8,11-12,15H,4-5,9-10,13-14H2,1-3H3,(H,22,26).
What are the key properties of 2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide?
2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide has a molecular weight of 384.48 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 51364963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).