2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)acetamide

C14H19N5O2 — CID 136905749

IUPAC2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)acetamide
SMILESCc1nc(C)c(CC(=O)NCCCn2ccnc2)c(=O)[nH]1
InChIInChI=1S/C14H19N5O2/c1-10-12(14(21)18-11(2)17-10)8-13(20)16-4-3-6-19-7-5-15-9-19/h5,7,9H,3-4,6,8H2,1-2H3,(H,16,20)(H,17,18,21)
InChIKeyYXSFOFGTMOSHSX-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.33
Rot. Bonds6

About 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)acetamide

2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)acetamide (PubChem CID 136905749) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)acetamide
PubChem CID136905749
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)acetamide
SMILESCc1nc(C)c(CC(=O)NCCCn2ccnc2)c(=O)[nH]1
InChIInChI=1S/C14H19N5O2/c1-10-12(14(21)18-11(2)17-10)8-13(20)16-4-3-6-19-7-5-15-9-19/h5,7,9H,3-4,6,8H2,1-2H3,(H,16,20)(H,17,18,21)
InChIKeyYXSFOFGTMOSHSX-UHFFFAOYSA-N
XLogP0.33
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-2-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetamide
CID 4966920
N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-imidazol-1-ylpropyl)oxamide
CID 136641378
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1,5-dimethylpyrrol-2-yl)methyl]acetamide
CID 167879268
2-(2-chloro-6-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 2963113
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide
CID 35513194
N-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide
CID 110468194
2-(3,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47099773
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 47447578
4-chloro-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide
CID 4772684
4-amino-N-(3-imidazol-1-ylpropyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66122214
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30403008
N-(3-imidazol-1-ylpropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 63998273

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)acetamide?
The IUPAC name of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)acetamide (CID 136905749) is 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)acetamide is Cc1nc(C)c(CC(=O)NCCCn2ccnc2)c(=O)[nH]1.
What is the InChIKey of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)acetamide?
The InChIKey is YXSFOFGTMOSHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10-12(14(21)18-11(2)17-10)8-13(20)16-4-3-6-19-7-5-15-9-19/h5,7,9H,3-4,6,8H2,1-2H3,(H,16,20)(H,17,18,21).
What are the key properties of 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)acetamide?
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)acetamide has a molecular weight of 289.34 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)acetamide is sourced from PubChem (CID 136905749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).