N,N-dimethyl-N'-(4-thiophen-2-ylpyrimidin-2-yl)methanimidamide

C11H12N4S — CID 3744932

IUPACN,N-dimethyl-N'-(4-thiophen-2-ylpyrimidin-2-yl)methanimidamide
SMILESCN(C)C=Nc1nccc(-c2cccs2)n1
InChIInChI=1S/C11H12N4S/c1-15(2)8-13-11-12-6-5-9(14-11)10-4-3-7-16-10/h3-8H,1-2H3
InChIKeyVTCFLZAVRDMBLY-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.43
Rot. Bonds3

About N,N-dimethyl-N'-(4-thiophen-2-ylpyrimidin-2-yl)methanimidamide

N,N-dimethyl-N'-(4-thiophen-2-ylpyrimidin-2-yl)methanimidamide (PubChem CID 3744932) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is N,N-dimethyl-N'-(4-thiophen-2-ylpyrimidin-2-yl)methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(4-thiophen-2-ylpyrimidin-2-yl)methanimidamide
PubChem CID3744932
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC NameN,N-dimethyl-N'-(4-thiophen-2-ylpyrimidin-2-yl)methanimidamide
SMILESCN(C)C=Nc1nccc(-c2cccs2)n1
InChIInChI=1S/C11H12N4S/c1-15(2)8-13-11-12-6-5-9(14-11)10-4-3-7-16-10/h3-8H,1-2H3
InChIKeyVTCFLZAVRDMBLY-UHFFFAOYSA-N
XLogP2.43
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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,N-dimethyl-N'-(4-thiophen-2-ylpyrimidin-2-yl)methanimidamide?
The IUPAC name of N,N-dimethyl-N'-(4-thiophen-2-ylpyrimidin-2-yl)methanimidamide (CID 3744932) is N,N-dimethyl-N'-(4-thiophen-2-ylpyrimidin-2-yl)methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(4-thiophen-2-ylpyrimidin-2-yl)methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(4-thiophen-2-ylpyrimidin-2-yl)methanimidamide is CN(C)C=Nc1nccc(-c2cccs2)n1.
What is the InChIKey of N,N-dimethyl-N'-(4-thiophen-2-ylpyrimidin-2-yl)methanimidamide?
The InChIKey is VTCFLZAVRDMBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c1-15(2)8-13-11-12-6-5-9(14-11)10-4-3-7-16-10/h3-8H,1-2H3.
What are the key properties of N,N-dimethyl-N'-(4-thiophen-2-ylpyrimidin-2-yl)methanimidamide?
N,N-dimethyl-N'-(4-thiophen-2-ylpyrimidin-2-yl)methanimidamide has a molecular weight of 232.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(4-thiophen-2-ylpyrimidin-2-yl)methanimidamide is sourced from PubChem (CID 3744932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).