N-(3-imidazol-1-ylpropyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C13H17N5O3 — CID 45280798

IUPACN-(3-imidazol-1-ylpropyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCc1cn(CC(=O)NCCCn2ccnc2)c(=O)[nH]c1=O
InChIInChI=1S/C13H17N5O3/c1-10-7-18(13(21)16-12(10)20)8-11(19)15-3-2-5-17-6-4-14-9-17/h4,6-7,9H,2-3,5,8H2,1H3,(H,15,19)(H,16,20,21)
InChIKeyWCGRTVKVOVMUJR-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.75
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-(3-imidazol-1-ylpropyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 45280798) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID45280798
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCc1cn(CC(=O)NCCCn2ccnc2)c(=O)[nH]c1=O
InChIInChI=1S/C13H17N5O3/c1-10-7-18(13(21)16-12(10)20)8-11(19)15-3-2-5-17-6-4-14-9-17/h4,6-7,9H,2-3,5,8H2,1H3,(H,15,19)(H,16,20,21)
InChIKeyWCGRTVKVOVMUJR-UHFFFAOYSA-N
XLogP-0.75
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 45280798) is N-(3-imidazol-1-ylpropyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is Cc1cn(CC(=O)NCCCn2ccnc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is WCGRTVKVOVMUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-10-7-18(13(21)16-12(10)20)8-11(19)15-3-2-5-17-6-4-14-9-17/h4,6-7,9H,2-3,5,8H2,1H3,(H,15,19)(H,16,20,21).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-(3-imidazol-1-ylpropyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 291.31 g/mol, XLogP of -0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 45280798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).