6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-propan-2-yl-1H-pyrimidine-5-carboxamide

C18H28N6O3 — CID 24719393

IUPAC6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCC(C)NC(=O)c1cnc(N2CCN(CC(=O)N3CCCC3)CC2)[nH]c1=O
InChIInChI=1S/C18H28N6O3/c1-13(2)20-16(26)14-11-19-18(21-17(14)27)24-9-7-22(8-10-24)12-15(25)23-5-3-4-6-23/h11,13H,3-10,12H2,1-2H3,(H,20,26)(H,19,21,27)
InChIKeyAVMGOXBQXZJKQB-UHFFFAOYSA-N
MW376.46 g/mol
LogP-0.35
Rot. Bonds5

About 6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-propan-2-yl-1H-pyrimidine-5-carboxamide

6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-propan-2-yl-1H-pyrimidine-5-carboxamide (PubChem CID 24719393) has the molecular formula C18H28N6O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-propan-2-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-propan-2-yl-1H-pyrimidine-5-carboxamide
PubChem CID24719393
Molecular FormulaC18H28N6O3
Molecular Weight376.46 g/mol
Exact Mass376.22
IUPAC Name6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCC(C)NC(=O)c1cnc(N2CCN(CC(=O)N3CCCC3)CC2)[nH]c1=O
InChIInChI=1S/C18H28N6O3/c1-13(2)20-16(26)14-11-19-18(21-17(14)27)24-9-7-22(8-10-24)12-15(25)23-5-3-4-6-23/h11,13H,3-10,12H2,1-2H3,(H,20,26)(H,19,21,27)
InChIKeyAVMGOXBQXZJKQB-UHFFFAOYSA-N
XLogP-0.35
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

2-isopropyl-5-{[2-(1-pyrrolidinylcarbonyl)-1-piperazinyl]carbonyl}-4(3H)-pyrimidinone
CID 56898809
N-[5-[4-[(2S)-2,4-diaminobutanoyl]piperazin-1-yl]-6-oxo-1H-pyrimidin-2-yl]acetamide
CID 118591460
2-(2-aminopropanoylamino)-N-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 132211107
N-(2-methoxyethyl)-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide
CID 42843939
N-butan-2-yl-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide
CID 42843940
5-[(4-isobutyl-2-methyl-3-oxo-1-piperazinyl)carbonyl]-4(3H)-pyrimidinone
CID 70746516
2-(methylamino)-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 82510824
2-propan-2-yl-5-[(2R)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 95724112
2-propan-2-yl-5-[(2S)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 95724113
5-[(2R)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 96392725
5-[(2S)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 96392727
N-[(3R)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-pyrrolidin-1-ylacetamide
CID 136759860

Frequently Asked Questions

What is the IUPAC name of 6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-propan-2-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of 6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-propan-2-yl-1H-pyrimidine-5-carboxamide (CID 24719393) is 6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-propan-2-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-propan-2-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-propan-2-yl-1H-pyrimidine-5-carboxamide is CC(C)NC(=O)c1cnc(N2CCN(CC(=O)N3CCCC3)CC2)[nH]c1=O.
What is the InChIKey of 6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-propan-2-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is AVMGOXBQXZJKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O3/c1-13(2)20-16(26)14-11-19-18(21-17(14)27)24-9-7-22(8-10-24)12-15(25)23-5-3-4-6-23/h11,13H,3-10,12H2,1-2H3,(H,20,26)(H,19,21,27).
What are the key properties of 6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-propan-2-yl-1H-pyrimidine-5-carboxamide?
6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-propan-2-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 376.46 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-propan-2-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 24719393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).