2-(1-adamantyl)-N-(3-ethoxypropyl)-6-oxo-1H-pyrimidine-5-carboxamide

C20H29N3O3 — CID 70785400

IUPAC2-(1-adamantyl)-N-(3-ethoxypropyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCOCCCNC(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O
InChIInChI=1S/C20H29N3O3/c1-2-26-5-3-4-21-17(24)16-12-22-19(23-18(16)25)20-9-13-6-14(10-20)8-15(7-13)11-20/h12-15H,2-11H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyDDYSLBJYQQMOJU-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.39
Rot. Bonds7

About 2-(1-adamantyl)-N-(3-ethoxypropyl)-6-oxo-1H-pyrimidine-5-carboxamide

2-(1-adamantyl)-N-(3-ethoxypropyl)-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 70785400) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(3-ethoxypropyl)-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(3-ethoxypropyl)-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID70785400
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name2-(1-adamantyl)-N-(3-ethoxypropyl)-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCCOCCCNC(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O
InChIInChI=1S/C20H29N3O3/c1-2-26-5-3-4-21-17(24)16-12-22-19(23-18(16)25)20-9-13-6-14(10-20)8-15(7-13)11-20/h12-15H,2-11H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyDDYSLBJYQQMOJU-UHFFFAOYSA-N
XLogP2.39
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1-adamantyl)-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97114525
2-(1-adamantyl)-N-methyl-6-oxo-N-propyl-1H-pyrimidine-5-carboxamide
CID 70723584
2-(1-adamantyl)-N-[(2S)-3-(dimethylamino)-2-methylpropyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97117981
2-(1-adamantyl)-N-[[(3R)-oxan-3-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97137685
2-(1-adamantyl)-6-oxo-N-[[(3S)-piperidin-3-yl]methyl]-1H-pyrimidine-5-carboxamide
CID 97137563
2-(1-adamantyl)-6-oxo-N-[(2R)-2-pyrrolidin-1-ylpropyl]-1H-pyrimidine-5-carboxamide
CID 97137006
2-(1-adamantyl)-N-[[(2R)-1,4-dioxan-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97154853
2-(1-adamantyl)-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 70725360
2-(1-adamantyl)-N-methyl-6-oxo-N-(pyrazolidin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 134067488
2-(1-adamantyl)-N-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97147794
N-(3-ethoxypropyl)-6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125490909
N-(3-butoxypropyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786174

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(3-ethoxypropyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-(1-adamantyl)-N-(3-ethoxypropyl)-6-oxo-1H-pyrimidine-5-carboxamide (CID 70785400) is 2-(1-adamantyl)-N-(3-ethoxypropyl)-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(3-ethoxypropyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-(1-adamantyl)-N-(3-ethoxypropyl)-6-oxo-1H-pyrimidine-5-carboxamide is CCOCCCNC(=O)c1cnc(C23CC4CC(CC(C4)C2)C3)[nH]c1=O.
What is the InChIKey of 2-(1-adamantyl)-N-(3-ethoxypropyl)-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is DDYSLBJYQQMOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-2-26-5-3-4-21-17(24)16-12-22-19(23-18(16)25)20-9-13-6-14(10-20)8-15(7-13)11-20/h12-15H,2-11H2,1H3,(H,21,24)(H,22,23,25).
What are the key properties of 2-(1-adamantyl)-N-(3-ethoxypropyl)-6-oxo-1H-pyrimidine-5-carboxamide?
2-(1-adamantyl)-N-(3-ethoxypropyl)-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(3-ethoxypropyl)-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70785400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).