N'-(1,3-dibenzyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide

C21H22N4O2 — CID 118658476

IUPACN'-(1,3-dibenzyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1cc(=O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C21H22N4O2/c1-23(2)16-22-19-13-20(26)25(15-18-11-7-4-8-12-18)21(27)24(19)14-17-9-5-3-6-10-17/h3-13,16H,14-15H2,1-2H3
InChIKeyHARXCJKFPKVPIR-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.33
Rot. Bonds6

About N'-(1,3-dibenzyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide

N'-(1,3-dibenzyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide (PubChem CID 118658476) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N'-(1,3-dibenzyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(1,3-dibenzyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide
PubChem CID118658476
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN'-(1,3-dibenzyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1cc(=O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C21H22N4O2/c1-23(2)16-22-19-13-20(26)25(15-18-11-7-4-8-12-18)21(27)24(19)14-17-9-5-3-6-10-17/h3-13,16H,14-15H2,1-2H3
InChIKeyHARXCJKFPKVPIR-UHFFFAOYSA-N
XLogP2.33
TPSA59.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(1,3-dibenzyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(1,3-dibenzyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide (CID 118658476) is N'-(1,3-dibenzyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(1,3-dibenzyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(1,3-dibenzyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide is CN(C)C=Nc1cc(=O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1.
What is the InChIKey of N'-(1,3-dibenzyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide?
The InChIKey is HARXCJKFPKVPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-23(2)16-22-19-13-20(26)25(15-18-11-7-4-8-12-18)21(27)24(19)14-17-9-5-3-6-10-17/h3-13,16H,14-15H2,1-2H3.
What are the key properties of N'-(1,3-dibenzyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide?
N'-(1,3-dibenzyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide has a molecular weight of 362.43 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-dibenzyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 118658476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).