N-[[4-(dimethylamino)-6-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide

C21H33N5O3 — CID 110250852

IUPACN-[[4-(dimethylamino)-6-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide
SMILESCOCCN1CC(c2cc(N(C)C)nc(CN(C)C(=O)C3CCCC3)n2)CC1=O
InChIInChI=1S/C21H33N5O3/c1-24(2)19-12-17(16-11-20(27)26(13-16)9-10-29-4)22-18(23-19)14-25(3)21(28)15-7-5-6-8-15/h12,15-16H,5-11,13-14H2,1-4H3
InChIKeyURKHWBMMSCDLLQ-UHFFFAOYSA-N
MW403.53 g/mol
LogP1.65
Rot. Bonds8

About N-[[4-(dimethylamino)-6-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide

N-[[4-(dimethylamino)-6-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide (PubChem CID 110250852) has the molecular formula C21H33N5O3 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-6-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-6-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide
PubChem CID110250852
Molecular FormulaC21H33N5O3
Molecular Weight403.53 g/mol
Exact Mass403.26
IUPAC NameN-[[4-(dimethylamino)-6-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide
SMILESCOCCN1CC(c2cc(N(C)C)nc(CN(C)C(=O)C3CCCC3)n2)CC1=O
InChIInChI=1S/C21H33N5O3/c1-24(2)19-12-17(16-11-20(27)26(13-16)9-10-29-4)22-18(23-19)14-25(3)21(28)15-7-5-6-8-15/h12,15-16H,5-11,13-14H2,1-4H3
InChIKeyURKHWBMMSCDLLQ-UHFFFAOYSA-N
XLogP1.65
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-[(3S)-1-benzyl-5-oxopyrrolidin-3-yl]-6-(dimethylamino)pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide
CID 124977047
N-[[4-(dimethylamino)-6-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N,6-dimethylpyridine-3-carboxamide
CID 95830244
N-[[4-(dimethylamino)-6-[(3S)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylbenzenesulfonamide
CID 92621038
1-benzyl-N-[[4-(dimethylamino)-6-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylazetidine-3-carboxamide
CID 95812332
N-[[4-(dimethylamino)-6-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-4-(methoxymethyl)-N-methylbenzamide
CID 95812334
N-[[4-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-6-(methylamino)pyrimidin-2-yl]methyl]-N-methylcyclohexanecarboxamide
CID 110088824
N-benzyl-1-(3-methoxypropyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113182506
2-(azepan-1-yl)-4-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136869579
N-[[4-(dimethylamino)-6-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-2-hydroxy-N-methylacetamide
CID 110250786
N-(2-hydroxypropyl)-1-(2-methoxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 62333500
(4R)-4-[6-(dimethylamino)-2-(methylaminomethyl)pyrimidin-4-yl]-1-methylpyrrolidin-2-one
CID 124975948
N-[[4-(dimethylamino)-6-[(3R)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]pyrimidin-2-yl]methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 92621066

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-6-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide?
The IUPAC name of N-[[4-(dimethylamino)-6-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide (CID 110250852) is N-[[4-(dimethylamino)-6-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)-6-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide?
The canonical SMILES for N-[[4-(dimethylamino)-6-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide is COCCN1CC(c2cc(N(C)C)nc(CN(C)C(=O)C3CCCC3)n2)CC1=O.
What is the InChIKey of N-[[4-(dimethylamino)-6-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide?
The InChIKey is URKHWBMMSCDLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O3/c1-24(2)19-12-17(16-11-20(27)26(13-16)9-10-29-4)22-18(23-19)14-25(3)21(28)15-7-5-6-8-15/h12,15-16H,5-11,13-14H2,1-4H3.
What are the key properties of N-[[4-(dimethylamino)-6-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide?
N-[[4-(dimethylamino)-6-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide has a molecular weight of 403.53 g/mol, XLogP of 1.65, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-6-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide is sourced from PubChem (CID 110250852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).