2-(ethylsulfanylmethyl)-N-methylpyrimidin-4-amine

C8H13N3S — CID 65128120

IUPAC2-(ethylsulfanylmethyl)-N-methylpyrimidin-4-amine
SMILESCCSCc1nccc(NC)n1
InChIInChI=1S/C8H13N3S/c1-3-12-6-8-10-5-4-7(9-2)11-8/h4-5H,3,6H2,1-2H3,(H,9,10,11)
InChIKeyDJTYJAIQJWWTMJ-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.77
Rot. Bonds4

About 2-(ethylsulfanylmethyl)-N-methylpyrimidin-4-amine

2-(ethylsulfanylmethyl)-N-methylpyrimidin-4-amine (PubChem CID 65128120) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-(ethylsulfanylmethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(ethylsulfanylmethyl)-N-methylpyrimidin-4-amine
PubChem CID65128120
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name2-(ethylsulfanylmethyl)-N-methylpyrimidin-4-amine
SMILESCCSCc1nccc(NC)n1
InChIInChI=1S/C8H13N3S/c1-3-12-6-8-10-5-4-7(9-2)11-8/h4-5H,3,6H2,1-2H3,(H,9,10,11)
InChIKeyDJTYJAIQJWWTMJ-UHFFFAOYSA-N
XLogP1.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(ethylsulfanylmethyl)-N-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfanylmethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(ethylsulfanylmethyl)-N-methylpyrimidin-4-amine (CID 65128120) is 2-(ethylsulfanylmethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(ethylsulfanylmethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(ethylsulfanylmethyl)-N-methylpyrimidin-4-amine is CCSCc1nccc(NC)n1.
What is the InChIKey of 2-(ethylsulfanylmethyl)-N-methylpyrimidin-4-amine?
The InChIKey is DJTYJAIQJWWTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-3-12-6-8-10-5-4-7(9-2)11-8/h4-5H,3,6H2,1-2H3,(H,9,10,11).
What are the key properties of 2-(ethylsulfanylmethyl)-N-methylpyrimidin-4-amine?
2-(ethylsulfanylmethyl)-N-methylpyrimidin-4-amine has a molecular weight of 183.28 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfanylmethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 65128120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).