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

C18H28N6O4 — CID 42843939

IUPACN-(2-methoxyethyl)-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide
SMILESCOCCNC(=O)c1cnc(N2CCN(CC(=O)N3CCCC3)CC2)[nH]c1=O
InChIInChI=1S/C18H28N6O4/c1-28-11-4-19-16(26)14-12-20-18(21-17(14)27)24-9-7-22(8-10-24)13-15(25)23-5-2-3-6-23/h12H,2-11,13H2,1H3,(H,19,26)(H,20,21,27)
InChIKeyHEFUOOPWKOKXJZ-UHFFFAOYSA-N
MW392.46 g/mol
LogP-1.11
Rot. Bonds7

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

N-(2-methoxyethyl)-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide (PubChem CID 42843939) has the molecular formula C18H28N6O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide
PubChem CID42843939
Molecular FormulaC18H28N6O4
Molecular Weight392.46 g/mol
Exact Mass392.22
IUPAC NameN-(2-methoxyethyl)-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide
SMILESCOCCNC(=O)c1cnc(N2CCN(CC(=O)N3CCCC3)CC2)[nH]c1=O
InChIInChI=1S/C18H28N6O4/c1-28-11-4-19-16(26)14-12-20-18(21-17(14)27)24-9-7-22(8-10-24)13-15(25)23-5-2-3-6-23/h12H,2-11,13H2,1H3,(H,19,26)(H,20,21,27)
InChIKeyHEFUOOPWKOKXJZ-UHFFFAOYSA-N
XLogP-1.11
TPSA110.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 24719393
N-butan-2-yl-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide
CID 42843940

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide (CID 42843939) is N-(2-methoxyethyl)-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide is COCCNC(=O)c1cnc(N2CCN(CC(=O)N3CCCC3)CC2)[nH]c1=O.
What is the InChIKey of N-(2-methoxyethyl)-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide?
The InChIKey is HEFUOOPWKOKXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O4/c1-28-11-4-19-16(26)14-12-20-18(21-17(14)27)24-9-7-22(8-10-24)13-15(25)23-5-2-3-6-23/h12H,2-11,13H2,1H3,(H,19,26)(H,20,21,27).
What are the key properties of N-(2-methoxyethyl)-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide?
N-(2-methoxyethyl)-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide has a molecular weight of 392.46 g/mol, XLogP of -1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 42843939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).