2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-(2-imidazol-1-ylethoxy)ethyl]acetamide

C16H21N5O3 — CID 122246808

IUPAC2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-(2-imidazol-1-ylethoxy)ethyl]acetamide
SMILESO=C(Cn1cnc(C2CC2)cc1=O)NCCOCCn1ccnc1
InChIInChI=1S/C16H21N5O3/c22-15(18-4-7-24-8-6-20-5-3-17-11-20)10-21-12-19-14(9-16(21)23)13-1-2-13/h3,5,9,11-13H,1-2,4,6-8,10H2,(H,18,22)
InChIKeyXCEJQJCWYMYNEX-UHFFFAOYSA-N
MW331.38 g/mol
LogP0.15
Rot. Bonds9

About 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-(2-imidazol-1-ylethoxy)ethyl]acetamide

2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-(2-imidazol-1-ylethoxy)ethyl]acetamide (PubChem CID 122246808) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-(2-imidazol-1-ylethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-(2-imidazol-1-ylethoxy)ethyl]acetamide
PubChem CID122246808
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-(2-imidazol-1-ylethoxy)ethyl]acetamide
SMILESO=C(Cn1cnc(C2CC2)cc1=O)NCCOCCn1ccnc1
InChIInChI=1S/C16H21N5O3/c22-15(18-4-7-24-8-6-20-5-3-17-11-20)10-21-12-19-14(9-16(21)23)13-1-2-13/h3,5,9,11-13H,1-2,4,6-8,10H2,(H,18,22)
InChIKeyXCEJQJCWYMYNEX-UHFFFAOYSA-N
XLogP0.15
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-(2-pyrazol-1-ylethoxy)ethyl]acetamide
CID 122246756
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292864
N-[2-(3-cyclopropyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl)ethyl]-2-(4-cyclopropyl-6-oxopyrimidin-1-yl)acetamide
CID 126854772
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]acetamide
CID 122293721
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]ethyl]acetamide
CID 122325150
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
CID 122327311
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]acetamide
CID 126853801
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321294
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2,4-dimethoxypyrimidin-5-yl)acetamide
CID 122304167
1-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methylphenyl)urea
CID 121120160
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]pyridine-2-carboxamide
CID 119099474
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 122298321

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-(2-imidazol-1-ylethoxy)ethyl]acetamide?
The IUPAC name of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-(2-imidazol-1-ylethoxy)ethyl]acetamide (CID 122246808) is 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-(2-imidazol-1-ylethoxy)ethyl]acetamide.
What is the SMILES notation for 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-(2-imidazol-1-ylethoxy)ethyl]acetamide?
The canonical SMILES for 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-(2-imidazol-1-ylethoxy)ethyl]acetamide is O=C(Cn1cnc(C2CC2)cc1=O)NCCOCCn1ccnc1.
What is the InChIKey of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-(2-imidazol-1-ylethoxy)ethyl]acetamide?
The InChIKey is XCEJQJCWYMYNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c22-15(18-4-7-24-8-6-20-5-3-17-11-20)10-21-12-19-14(9-16(21)23)13-1-2-13/h3,5,9,11-13H,1-2,4,6-8,10H2,(H,18,22).
What are the key properties of 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-(2-imidazol-1-ylethoxy)ethyl]acetamide?
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-(2-imidazol-1-ylethoxy)ethyl]acetamide has a molecular weight of 331.38 g/mol, XLogP of 0.15, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-(2-imidazol-1-ylethoxy)ethyl]acetamide is sourced from PubChem (CID 122246808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).