N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]formamide

C16H15N3O3 — CID 177328807

IUPACN-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]formamide
SMILESO=CNC(C(=O)c1ccccc1)n1ccc(C2CC2)nc1=O
InChIInChI=1S/C16H15N3O3/c20-10-17-15(14(21)12-4-2-1-3-5-12)19-9-8-13(11-6-7-11)18-16(19)22/h1-5,8-11,15H,6-7H2,(H,17,20)
InChIKeyBJIJKWUQUPROHO-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.25
Rot. Bonds6

About N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]formamide

N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]formamide (PubChem CID 177328807) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]formamide.

Molecular Properties

Compound NameN-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]formamide
PubChem CID177328807
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]formamide
SMILESO=CNC(C(=O)c1ccccc1)n1ccc(C2CC2)nc1=O
InChIInChI=1S/C16H15N3O3/c20-10-17-15(14(21)12-4-2-1-3-5-12)19-9-8-13(11-6-7-11)18-16(19)22/h1-5,8-11,15H,6-7H2,(H,17,20)
InChIKeyBJIJKWUQUPROHO-UHFFFAOYSA-N
XLogP1.25
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]formamide?
The IUPAC name of N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]formamide (CID 177328807) is N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]formamide.
What is the SMILES notation for N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]formamide?
The canonical SMILES for N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]formamide is O=CNC(C(=O)c1ccccc1)n1ccc(C2CC2)nc1=O.
What is the InChIKey of N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]formamide?
The InChIKey is BJIJKWUQUPROHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-10-17-15(14(21)12-4-2-1-3-5-12)19-9-8-13(11-6-7-11)18-16(19)22/h1-5,8-11,15H,6-7H2,(H,17,20).
What are the key properties of N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]formamide?
N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]formamide has a molecular weight of 297.31 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxo-2-phenylethyl]formamide is sourced from PubChem (CID 177328807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).