2-tert-butyl-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide

C18H30N4O3 — CID 70725285

IUPAC2-tert-butyl-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCOCCN(C(=O)c1cnc(C(C)(C)C)[nH]c1=O)C1CCN(C)CC1
InChIInChI=1S/C18H30N4O3/c1-18(2,3)17-19-12-14(15(23)20-17)16(24)22(10-11-25-5)13-6-8-21(4)9-7-13/h12-13H,6-11H2,1-5H3,(H,19,20,23)
InChIKeyDTLSJRJVPSFPIO-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.25
Rot. Bonds5

About 2-tert-butyl-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide

2-tert-butyl-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 70725285) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-tert-butyl-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID70725285
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name2-tert-butyl-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCOCCN(C(=O)c1cnc(C(C)(C)C)[nH]c1=O)C1CCN(C)CC1
InChIInChI=1S/C18H30N4O3/c1-18(2,3)17-19-12-14(15(23)20-17)16(24)22(10-11-25-5)13-6-8-21(4)9-7-13/h12-13H,6-11H2,1-5H3,(H,19,20,23)
InChIKeyDTLSJRJVPSFPIO-UHFFFAOYSA-N
XLogP1.25
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-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 2-tert-butyl-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 70725285) is 2-tert-butyl-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide is COCCN(C(=O)c1cnc(C(C)(C)C)[nH]c1=O)C1CCN(C)CC1.
What is the InChIKey of 2-tert-butyl-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is DTLSJRJVPSFPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-18(2,3)17-19-12-14(15(23)20-17)16(24)22(10-11-25-5)13-6-8-21(4)9-7-13/h12-13H,6-11H2,1-5H3,(H,19,20,23).
What are the key properties of 2-tert-butyl-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide?
2-tert-butyl-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2-methoxyethyl)-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70725285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).