N'-(5-fluoro-2-methylsulfanylpyrimidin-4-yl)-N,N-dimethylmethanimidamide

C8H11FN4S — CID 58318932

IUPACN'-(5-fluoro-2-methylsulfanylpyrimidin-4-yl)-N,N-dimethylmethanimidamide
SMILESCSc1ncc(F)c(/N=C/N(C)C)n1
InChIInChI=1S/C8H11FN4S/c1-13(2)5-11-7-6(9)4-10-8(12-7)14-3/h4-5H,1-3H3/b11-5+
InChIKeyBPEYSBHUMGEDKI-VZUCSPMQSA-N
MW214.27 g/mol
LogP1.56
Rot. Bonds3

About N'-(5-fluoro-2-methylsulfanylpyrimidin-4-yl)-N,N-dimethylmethanimidamide

N'-(5-fluoro-2-methylsulfanylpyrimidin-4-yl)-N,N-dimethylmethanimidamide (PubChem CID 58318932) has the molecular formula C8H11FN4S and a molecular weight of 214.27 g/mol. Its IUPAC name is N'-(5-fluoro-2-methylsulfanylpyrimidin-4-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(5-fluoro-2-methylsulfanylpyrimidin-4-yl)-N,N-dimethylmethanimidamide
PubChem CID58318932
Molecular FormulaC8H11FN4S
Molecular Weight214.27 g/mol
Exact Mass214.07
IUPAC NameN'-(5-fluoro-2-methylsulfanylpyrimidin-4-yl)-N,N-dimethylmethanimidamide
SMILESCSc1ncc(F)c(/N=C/N(C)C)n1
InChIInChI=1S/C8H11FN4S/c1-13(2)5-11-7-6(9)4-10-8(12-7)14-3/h4-5H,1-3H3/b11-5+
InChIKeyBPEYSBHUMGEDKI-VZUCSPMQSA-N
XLogP1.56
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.56
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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Related Compounds

2-Chloro-5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidine
CID 1714310
4-Amino-2-(methylsulfanyl)pyrimidine-5-carbonitrile
CID 295757
2-[[5-Fluoro-2-(methylsulfanyl)-4-pyrimidinyl](2-hydroxyethyl)amino]ethanol
CID 685643
5-Fluoropyrimidine-2,4-diamine
CID 255608
2-(Methylthio)-5-(tributylstannyl)pyrimidine
CID 2763262
5-Fluoropyrimidin-4-amine
CID 3478696
4-Fluoro-2-(methylsulfanyl)pyrimidine
CID 10261244
5-Bromo-2-(methylsulfanyl)pyrimidin-4-amine
CID 613536
4-(Aziridin-1-yl)-5-bromo-2-methylsulfanylpyrimidine
CID 241834
N-[5-fluoro-2-(methylsulfanyl)-4-pyrimidinyl]-N,N-dimethylamine
CID 685638
5-Fluoro-2-(methylsulfonyl)pyrimidine
CID 566379
5-Methyl-2-(methylthio)-4-pyrimidinamine
CID 593218

Frequently Asked Questions

What is the IUPAC name of N'-(5-fluoro-2-methylsulfanylpyrimidin-4-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(5-fluoro-2-methylsulfanylpyrimidin-4-yl)-N,N-dimethylmethanimidamide (CID 58318932) is N'-(5-fluoro-2-methylsulfanylpyrimidin-4-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(5-fluoro-2-methylsulfanylpyrimidin-4-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(5-fluoro-2-methylsulfanylpyrimidin-4-yl)-N,N-dimethylmethanimidamide is CSc1ncc(F)c(/N=C/N(C)C)n1.
What is the InChIKey of N'-(5-fluoro-2-methylsulfanylpyrimidin-4-yl)-N,N-dimethylmethanimidamide?
The InChIKey is BPEYSBHUMGEDKI-VZUCSPMQSA-N. The full InChI is InChI=1S/C8H11FN4S/c1-13(2)5-11-7-6(9)4-10-8(12-7)14-3/h4-5H,1-3H3/b11-5+.
What are the key properties of N'-(5-fluoro-2-methylsulfanylpyrimidin-4-yl)-N,N-dimethylmethanimidamide?
N'-(5-fluoro-2-methylsulfanylpyrimidin-4-yl)-N,N-dimethylmethanimidamide has a molecular weight of 214.27 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-fluoro-2-methylsulfanylpyrimidin-4-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 58318932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).