N,N-dimethyl-2-oxo-4-phenyl-6-pyrimidin-2-ylcyclohex-3-ene-1-carboxamide

C19H19N3O2 — CID 134865350

IUPACN,N-dimethyl-2-oxo-4-phenyl-6-pyrimidin-2-ylcyclohex-3-ene-1-carboxamide
SMILESCN(C)C(=O)C1C(=O)C=C(c2ccccc2)CC1c1ncccn1
InChIInChI=1S/C19H19N3O2/c1-22(2)19(24)17-15(18-20-9-6-10-21-18)11-14(12-16(17)23)13-7-4-3-5-8-13/h3-10,12,15,17H,11H2,1-2H3
InChIKeyYGOSZJGFDTYANR-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.32
Rot. Bonds3

About N,N-dimethyl-2-oxo-4-phenyl-6-pyrimidin-2-ylcyclohex-3-ene-1-carboxamide

N,N-dimethyl-2-oxo-4-phenyl-6-pyrimidin-2-ylcyclohex-3-ene-1-carboxamide (PubChem CID 134865350) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N,N-dimethyl-2-oxo-4-phenyl-6-pyrimidin-2-ylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-oxo-4-phenyl-6-pyrimidin-2-ylcyclohex-3-ene-1-carboxamide
PubChem CID134865350
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN,N-dimethyl-2-oxo-4-phenyl-6-pyrimidin-2-ylcyclohex-3-ene-1-carboxamide
SMILESCN(C)C(=O)C1C(=O)C=C(c2ccccc2)CC1c1ncccn1
InChIInChI=1S/C19H19N3O2/c1-22(2)19(24)17-15(18-20-9-6-10-21-18)11-14(12-16(17)23)13-7-4-3-5-8-13/h3-10,12,15,17H,11H2,1-2H3
InChIKeyYGOSZJGFDTYANR-UHFFFAOYSA-N
XLogP2.32
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-oxo-4-phenyl-6-pyrimidin-2-ylcyclohex-3-ene-1-carboxamide?
The IUPAC name of N,N-dimethyl-2-oxo-4-phenyl-6-pyrimidin-2-ylcyclohex-3-ene-1-carboxamide (CID 134865350) is N,N-dimethyl-2-oxo-4-phenyl-6-pyrimidin-2-ylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-oxo-4-phenyl-6-pyrimidin-2-ylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for N,N-dimethyl-2-oxo-4-phenyl-6-pyrimidin-2-ylcyclohex-3-ene-1-carboxamide is CN(C)C(=O)C1C(=O)C=C(c2ccccc2)CC1c1ncccn1.
What is the InChIKey of N,N-dimethyl-2-oxo-4-phenyl-6-pyrimidin-2-ylcyclohex-3-ene-1-carboxamide?
The InChIKey is YGOSZJGFDTYANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-22(2)19(24)17-15(18-20-9-6-10-21-18)11-14(12-16(17)23)13-7-4-3-5-8-13/h3-10,12,15,17H,11H2,1-2H3.
What are the key properties of N,N-dimethyl-2-oxo-4-phenyl-6-pyrimidin-2-ylcyclohex-3-ene-1-carboxamide?
N,N-dimethyl-2-oxo-4-phenyl-6-pyrimidin-2-ylcyclohex-3-ene-1-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-oxo-4-phenyl-6-pyrimidin-2-ylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 134865350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).