N,N-dimethyl-N'-(2-methylsulfanylpyrimidin-5-yl)methanimidamide

C8H12N4S — CID 607177

IUPACN,N-dimethyl-N'-(2-methylsulfanylpyrimidin-5-yl)methanimidamide
SMILESCSc1ncc(/N=C/N(C)C)cn1
InChIInChI=1S/C8H12N4S/c1-12(2)6-11-7-4-9-8(13-3)10-5-7/h4-6H,1-3H3/b11-6+
InChIKeyMDKISTZNRFJSFI-IZZDOVSWSA-N
MW196.28 g/mol
LogP1.42
Rot. Bonds3

About N,N-dimethyl-N'-(2-methylsulfanylpyrimidin-5-yl)methanimidamide

N,N-dimethyl-N'-(2-methylsulfanylpyrimidin-5-yl)methanimidamide (PubChem CID 607177) has the molecular formula C8H12N4S and a molecular weight of 196.28 g/mol. Its IUPAC name is N,N-dimethyl-N'-(2-methylsulfanylpyrimidin-5-yl)methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(2-methylsulfanylpyrimidin-5-yl)methanimidamide
PubChem CID607177
Molecular FormulaC8H12N4S
Molecular Weight196.28 g/mol
Exact Mass196.08
IUPAC NameN,N-dimethyl-N'-(2-methylsulfanylpyrimidin-5-yl)methanimidamide
SMILESCSc1ncc(/N=C/N(C)C)cn1
InChIInChI=1S/C8H12N4S/c1-12(2)6-11-7-4-9-8(13-3)10-5-7/h4-6H,1-3H3/b11-6+
InChIKeyMDKISTZNRFJSFI-IZZDOVSWSA-N
XLogP1.42
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.42
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'-(2-methylsulfanylpyrimidin-5-yl)methanimidamide?
The IUPAC name of N,N-dimethyl-N'-(2-methylsulfanylpyrimidin-5-yl)methanimidamide (CID 607177) is N,N-dimethyl-N'-(2-methylsulfanylpyrimidin-5-yl)methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(2-methylsulfanylpyrimidin-5-yl)methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(2-methylsulfanylpyrimidin-5-yl)methanimidamide is CSc1ncc(/N=C/N(C)C)cn1.
What is the InChIKey of N,N-dimethyl-N'-(2-methylsulfanylpyrimidin-5-yl)methanimidamide?
The InChIKey is MDKISTZNRFJSFI-IZZDOVSWSA-N. The full InChI is InChI=1S/C8H12N4S/c1-12(2)6-11-7-4-9-8(13-3)10-5-7/h4-6H,1-3H3/b11-6+.
What are the key properties of N,N-dimethyl-N'-(2-methylsulfanylpyrimidin-5-yl)methanimidamide?
N,N-dimethyl-N'-(2-methylsulfanylpyrimidin-5-yl)methanimidamide has a molecular weight of 196.28 g/mol, XLogP of 1.42, 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'-(2-methylsulfanylpyrimidin-5-yl)methanimidamide is sourced from PubChem (CID 607177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).