N-butyl-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide

C17H20N4O2 — CID 3072194

IUPACN-butyl-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCCCCNC(=O)c1cnc2n(c1=O)CCN2c1ccccc1
InChIInChI=1S/C17H20N4O2/c1-2-3-9-18-15(22)14-12-19-17-20(10-11-21(17)16(14)23)13-7-5-4-6-8-13/h4-8,12H,2-3,9-11H2,1H3,(H,18,22)
InChIKeyCDICWFQTSBUXPO-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.92
Rot. Bonds5

About N-butyl-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide

N-butyl-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 3072194) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-butyl-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-butyl-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide
PubChem CID3072194
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-butyl-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCCCCNC(=O)c1cnc2n(c1=O)CCN2c1ccccc1
InChIInChI=1S/C17H20N4O2/c1-2-3-9-18-15(22)14-12-19-17-20(10-11-21(17)16(14)23)13-7-5-4-6-8-13/h4-8,12H,2-3,9-11H2,1H3,(H,18,22)
InChIKeyCDICWFQTSBUXPO-UHFFFAOYSA-N
XLogP1.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-butyl-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-butyl-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide (CID 3072194) is N-butyl-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-butyl-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-butyl-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide is CCCCNC(=O)c1cnc2n(c1=O)CCN2c1ccccc1.
What is the InChIKey of N-butyl-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is CDICWFQTSBUXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-2-3-9-18-15(22)14-12-19-17-20(10-11-21(17)16(14)23)13-7-5-4-6-8-13/h4-8,12H,2-3,9-11H2,1H3,(H,18,22).
What are the key properties of N-butyl-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide?
N-butyl-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-oxo-1-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3072194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).