2-ethylsulfanyl-6-methylpyrimidine-4-carboximidamide

C8H12N4S — CID 107551777

IUPAC2-ethylsulfanyl-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(SCC)n1
InChIInChI=1S/C8H12N4S/c1-3-13-8-11-5(2)4-6(12-8)7(9)10/h4H,3H2,1-2H3,(H3,9,10)
InChIKeyLYZYHAIBNPYBCI-UHFFFAOYSA-N
MW196.28 g/mol
LogP1.18
Rot. Bonds3

About 2-ethylsulfanyl-6-methylpyrimidine-4-carboximidamide

2-ethylsulfanyl-6-methylpyrimidine-4-carboximidamide (PubChem CID 107551777) has the molecular formula C8H12N4S and a molecular weight of 196.28 g/mol. Its IUPAC name is 2-ethylsulfanyl-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-ethylsulfanyl-6-methylpyrimidine-4-carboximidamide
PubChem CID107551777
Molecular FormulaC8H12N4S
Molecular Weight196.28 g/mol
Exact Mass196.08
IUPAC Name2-ethylsulfanyl-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(SCC)n1
InChIInChI=1S/C8H12N4S/c1-3-13-8-11-5(2)4-6(12-8)7(9)10/h4H,3H2,1-2H3,(H3,9,10)
InChIKeyLYZYHAIBNPYBCI-UHFFFAOYSA-N
XLogP1.18
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.28
LogP ≤ 51.18
H-Bond Donors ≤ 52
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

4,6-Dimethyl-2-(methylsulfanyl)pyrimidine
CID 12343174
(4,5-Dihydro-thiazol-2-yl)-(4,6-dimethyl-pyrimidin-2-yl)-amine
CID 899477
2-(4,6-Dimethylpyrimidin-2-yl)sulfanylacetamide
CID 840853
Pyrimidine, 2,2'-(1,4-butanediylbis(thio))bis(4,6-dimethyl-
CID 203670
Pyrimidine, 2,2'-(1,3-propanediylbis(thio))bis(4,6-dimethyl-
CID 203669
4,6-Dimethyl-2-[(2-piperidin-1-ylethyl)thio]pyrimidine
CID 779100
{2-[(4,6-Dimethyl-2-pyrimidinyl)thio]ethyl}dimethylamine succinate
CID 747180
2-[2-(4,6-Dimethylpyrimidin-2-ylthio)ethylthio]-4,6-dimethylpyrimidine
CID 3126462
4-Methyl-2-[(3,4,4-trifluorobut-3-en-1-yl)thio]-6-(trifluoromethyl)pyrimidine
CID 172879216
Cambridge id 5851074
CID 2177038
[2-(4,6-Dimethylpyrimidin-2-ylthio)propyl]dimethylamine
CID 5114603
2-Methylthio-6-trifluoromethylpyrimidine-4-carboxamide oxime
CID 136368285

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of 2-ethylsulfanyl-6-methylpyrimidine-4-carboximidamide (CID 107551777) is 2-ethylsulfanyl-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for 2-ethylsulfanyl-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for 2-ethylsulfanyl-6-methylpyrimidine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(SCC)n1.
What is the InChIKey of 2-ethylsulfanyl-6-methylpyrimidine-4-carboximidamide?
The InChIKey is LYZYHAIBNPYBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4S/c1-3-13-8-11-5(2)4-6(12-8)7(9)10/h4H,3H2,1-2H3,(H3,9,10).
What are the key properties of 2-ethylsulfanyl-6-methylpyrimidine-4-carboximidamide?
2-ethylsulfanyl-6-methylpyrimidine-4-carboximidamide has a molecular weight of 196.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 107551777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).