2-(1-adamantyl)-N-[2-(dimethylamino)ethyl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide

C21H32N4O2 — CID 70717851

IUPAC2-(1-adamantyl)-N-[2-(dimethylamino)ethyl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCN(CCN(C)C)C(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O
InChIInChI=1S/C21H32N4O2/c1-4-25(6-5-24(2)3)19(27)17-13-22-20(23-18(17)26)21-10-14-7-15(11-21)9-16(8-14)12-21/h13-16H,4-12H2,1-3H3,(H,22,23,26)
InChIKeyXMAZOKAHLMDTKN-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.26
Rot. Bonds6

About 2-(1-adamantyl)-N-[2-(dimethylamino)ethyl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide

2-(1-adamantyl)-N-[2-(dimethylamino)ethyl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 70717851) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-(dimethylamino)ethyl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-(dimethylamino)ethyl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID70717851
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name2-(1-adamantyl)-N-[2-(dimethylamino)ethyl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCN(CCN(C)C)C(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O
InChIInChI=1S/C21H32N4O2/c1-4-25(6-5-24(2)3)19(27)17-13-22-20(23-18(17)26)21-10-14-7-15(11-21)9-16(8-14)12-21/h13-16H,4-12H2,1-3H3,(H,22,23,26)
InChIKeyXMAZOKAHLMDTKN-UHFFFAOYSA-N
XLogP2.26
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-adamantyl)-N-[2-(dimethylamino)ethyl]-N-ethyl-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-(1-adamantyl)-N-[2-(dimethylamino)ethyl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-(dimethylamino)ethyl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 70717851) is 2-(1-adamantyl)-N-[2-(dimethylamino)ethyl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-(dimethylamino)ethyl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-(dimethylamino)ethyl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide is CCN(CCN(C)C)C(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O.
What is the InChIKey of 2-(1-adamantyl)-N-[2-(dimethylamino)ethyl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is XMAZOKAHLMDTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-4-25(6-5-24(2)3)19(27)17-13-22-20(23-18(17)26)21-10-14-7-15(11-21)9-16(8-14)12-21/h13-16H,4-12H2,1-3H3,(H,22,23,26).
What are the key properties of 2-(1-adamantyl)-N-[2-(dimethylamino)ethyl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide?
2-(1-adamantyl)-N-[2-(dimethylamino)ethyl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-(dimethylamino)ethyl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70717851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).