N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C20H25N5O3 — CID 122356256

IUPACN-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3c(C)nc(N(C)C)nc3C)CC2=O)cc1
InChIInChI=1S/C20H25N5O3/c1-12-18(13(2)22-20(21-12)24(3)4)23-19(27)14-10-17(26)25(11-14)15-6-8-16(28-5)9-7-15/h6-9,14H,10-11H2,1-5H3,(H,23,27)
InChIKeyFTHMKRWRFVAQJN-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.16
Rot. Bonds5

About N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 122356256) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID122356256
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)Nc3c(C)nc(N(C)C)nc3C)CC2=O)cc1
InChIInChI=1S/C20H25N5O3/c1-12-18(13(2)22-20(21-12)24(3)4)23-19(27)14-10-17(26)25(11-14)15-6-8-16(28-5)9-7-15/h6-9,14H,10-11H2,1-5H3,(H,23,27)
InChIKeyFTHMKRWRFVAQJN-UHFFFAOYSA-N
XLogP2.16
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 122356253
1-(4-methoxyphenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 2926954
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
(3S)-N-(4,6-dimethylpyrimidin-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94843087
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122354288
(3R)-1-(4-methoxyphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974529
N-(4-acetamidophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2920874
N-[3-(dimethylamino)phenyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108785662
N-(4-methoxyphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791034
1-(4-methoxyphenyl)-5-oxo-N-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113188168
N-(2,5-dimethoxyphenyl)-1-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113189679
(3S)-N-(4-chlorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704383

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 122356256) is N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)Nc3c(C)nc(N(C)C)nc3C)CC2=O)cc1.
What is the InChIKey of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FTHMKRWRFVAQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-12-18(13(2)22-20(21-12)24(3)4)23-19(27)14-10-17(26)25(11-14)15-6-8-16(28-5)9-7-15/h6-9,14H,10-11H2,1-5H3,(H,23,27).
What are the key properties of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 122356256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).