6-tert-butyl-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-2-oxo-1H-pyrimidine-4-carboxamide

C18H30N4O3 — CID 86285141

IUPAC6-tert-butyl-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCOCCN1CCC(CN(C)C(=O)c2cc(C(C)(C)C)[nH]c(=O)n2)C1
InChIInChI=1S/C18H30N4O3/c1-18(2,3)15-10-14(19-17(24)20-15)16(23)21(4)11-13-6-7-22(12-13)8-9-25-5/h10,13H,6-9,11-12H2,1-5H3,(H,19,20,24)
InChIKeyZSGRTPZZRJSEML-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.11
Rot. Bonds6

About 6-tert-butyl-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-2-oxo-1H-pyrimidine-4-carboxamide

6-tert-butyl-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-2-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 86285141) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 6-tert-butyl-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-2-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-2-oxo-1H-pyrimidine-4-carboxamide
PubChem CID86285141
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name6-tert-butyl-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCOCCN1CCC(CN(C)C(=O)c2cc(C(C)(C)C)[nH]c(=O)n2)C1
InChIInChI=1S/C18H30N4O3/c1-18(2,3)15-10-14(19-17(24)20-15)16(23)21(4)11-13-6-7-22(12-13)8-9-25-5/h10,13H,6-9,11-12H2,1-5H3,(H,19,20,24)
InChIKeyZSGRTPZZRJSEML-UHFFFAOYSA-N
XLogP1.11
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-tert-butyl-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-2-oxo-1H-pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-2-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 6-tert-butyl-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-2-oxo-1H-pyrimidine-4-carboxamide (CID 86285141) is 6-tert-butyl-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-2-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 6-tert-butyl-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-2-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 6-tert-butyl-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-2-oxo-1H-pyrimidine-4-carboxamide is COCCN1CCC(CN(C)C(=O)c2cc(C(C)(C)C)[nH]c(=O)n2)C1.
What is the InChIKey of 6-tert-butyl-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-2-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is ZSGRTPZZRJSEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-18(2,3)15-10-14(19-17(24)20-15)16(23)21(4)11-13-6-7-22(12-13)8-9-25-5/h10,13H,6-9,11-12H2,1-5H3,(H,19,20,24).
What are the key properties of 6-tert-butyl-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-2-oxo-1H-pyrimidine-4-carboxamide?
6-tert-butyl-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-2-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-N-methyl-2-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 86285141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).