N-methyl-1-[2-(3-methylbutylsulfanyl)pyrimidin-5-yl]methanamine

C11H19N3S — CID 107761886

IUPACN-methyl-1-[2-(3-methylbutylsulfanyl)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(SCCC(C)C)nc1
InChIInChI=1S/C11H19N3S/c1-9(2)4-5-15-11-13-7-10(6-12-3)8-14-11/h7-9,12H,4-6H2,1-3H3
InChIKeyZBZOSKXQKABWTQ-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.33
Rot. Bonds6

About N-methyl-1-[2-(3-methylbutylsulfanyl)pyrimidin-5-yl]methanamine

N-methyl-1-[2-(3-methylbutylsulfanyl)pyrimidin-5-yl]methanamine (PubChem CID 107761886) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-methyl-1-[2-(3-methylbutylsulfanyl)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(3-methylbutylsulfanyl)pyrimidin-5-yl]methanamine
PubChem CID107761886
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-methyl-1-[2-(3-methylbutylsulfanyl)pyrimidin-5-yl]methanamine
SMILESCNCc1cnc(SCCC(C)C)nc1
InChIInChI=1S/C11H19N3S/c1-9(2)4-5-15-11-13-7-10(6-12-3)8-14-11/h7-9,12H,4-6H2,1-3H3
InChIKeyZBZOSKXQKABWTQ-UHFFFAOYSA-N
XLogP2.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[2-(3-methylbutylsulfanyl)pyrimidin-5-yl]methanamine 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 N-methyl-1-[2-(3-methylbutylsulfanyl)pyrimidin-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-(3-methylbutylsulfanyl)pyrimidin-5-yl]methanamine (CID 107761886) is N-methyl-1-[2-(3-methylbutylsulfanyl)pyrimidin-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(3-methylbutylsulfanyl)pyrimidin-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-(3-methylbutylsulfanyl)pyrimidin-5-yl]methanamine is CNCc1cnc(SCCC(C)C)nc1.
What is the InChIKey of N-methyl-1-[2-(3-methylbutylsulfanyl)pyrimidin-5-yl]methanamine?
The InChIKey is ZBZOSKXQKABWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-9(2)4-5-15-11-13-7-10(6-12-3)8-14-11/h7-9,12H,4-6H2,1-3H3.
What are the key properties of N-methyl-1-[2-(3-methylbutylsulfanyl)pyrimidin-5-yl]methanamine?
N-methyl-1-[2-(3-methylbutylsulfanyl)pyrimidin-5-yl]methanamine has a molecular weight of 225.36 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(3-methylbutylsulfanyl)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 107761886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).