N-(1-benzyl-3-hydroxy-7-oxo-2,3-dihydroimidazo[1,2-c]pyrimidin-8-yl)-N-methylprop-2-enamide

C17H18N4O3 — CID 135026271

IUPACN-(1-benzyl-3-hydroxy-7-oxo-2,3-dihydroimidazo[1,2-c]pyrimidin-8-yl)-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)c1c2n(cnc1=O)C(O)CN2Cc1ccccc1
InChIInChI=1S/C17H18N4O3/c1-3-13(22)19(2)15-16(24)18-11-21-14(23)10-20(17(15)21)9-12-7-5-4-6-8-12/h3-8,11,14,23H,1,9-10H2,2H3
InChIKeyZUPQORXTSWVFON-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.90
Rot. Bonds4

About N-(1-benzyl-3-hydroxy-7-oxo-2,3-dihydroimidazo[1,2-c]pyrimidin-8-yl)-N-methylprop-2-enamide

N-(1-benzyl-3-hydroxy-7-oxo-2,3-dihydroimidazo[1,2-c]pyrimidin-8-yl)-N-methylprop-2-enamide (PubChem CID 135026271) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-(1-benzyl-3-hydroxy-7-oxo-2,3-dihydroimidazo[1,2-c]pyrimidin-8-yl)-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-(1-benzyl-3-hydroxy-7-oxo-2,3-dihydroimidazo[1,2-c]pyrimidin-8-yl)-N-methylprop-2-enamide
PubChem CID135026271
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-(1-benzyl-3-hydroxy-7-oxo-2,3-dihydroimidazo[1,2-c]pyrimidin-8-yl)-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)c1c2n(cnc1=O)C(O)CN2Cc1ccccc1
InChIInChI=1S/C17H18N4O3/c1-3-13(22)19(2)15-16(24)18-11-21-14(23)10-20(17(15)21)9-12-7-5-4-6-8-12/h3-8,11,14,23H,1,9-10H2,2H3
InChIKeyZUPQORXTSWVFON-UHFFFAOYSA-N
XLogP0.90
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3-hydroxy-7-oxo-2,3-dihydroimidazo[1,2-c]pyrimidin-8-yl)-N-methylprop-2-enamide?
The IUPAC name of N-(1-benzyl-3-hydroxy-7-oxo-2,3-dihydroimidazo[1,2-c]pyrimidin-8-yl)-N-methylprop-2-enamide (CID 135026271) is N-(1-benzyl-3-hydroxy-7-oxo-2,3-dihydroimidazo[1,2-c]pyrimidin-8-yl)-N-methylprop-2-enamide.
What is the SMILES notation for N-(1-benzyl-3-hydroxy-7-oxo-2,3-dihydroimidazo[1,2-c]pyrimidin-8-yl)-N-methylprop-2-enamide?
The canonical SMILES for N-(1-benzyl-3-hydroxy-7-oxo-2,3-dihydroimidazo[1,2-c]pyrimidin-8-yl)-N-methylprop-2-enamide is C=CC(=O)N(C)c1c2n(cnc1=O)C(O)CN2Cc1ccccc1.
What is the InChIKey of N-(1-benzyl-3-hydroxy-7-oxo-2,3-dihydroimidazo[1,2-c]pyrimidin-8-yl)-N-methylprop-2-enamide?
The InChIKey is ZUPQORXTSWVFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-3-13(22)19(2)15-16(24)18-11-21-14(23)10-20(17(15)21)9-12-7-5-4-6-8-12/h3-8,11,14,23H,1,9-10H2,2H3.
What are the key properties of N-(1-benzyl-3-hydroxy-7-oxo-2,3-dihydroimidazo[1,2-c]pyrimidin-8-yl)-N-methylprop-2-enamide?
N-(1-benzyl-3-hydroxy-7-oxo-2,3-dihydroimidazo[1,2-c]pyrimidin-8-yl)-N-methylprop-2-enamide has a molecular weight of 326.36 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3-hydroxy-7-oxo-2,3-dihydroimidazo[1,2-c]pyrimidin-8-yl)-N-methylprop-2-enamide is sourced from PubChem (CID 135026271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).