N-[[2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]ethanamine

C15H19N3S — CID 66064251

IUPACN-[[2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1ccnc(CSc2ccc(C)cc2)n1
InChIInChI=1S/C15H19N3S/c1-3-16-10-13-8-9-17-15(18-13)11-19-14-6-4-12(2)5-7-14/h4-9,16H,3,10-11H2,1-2H3
InChIKeyKIPVIOVKIPWMDD-UHFFFAOYSA-N
MW273.41 g/mol
LogP3.19
Rot. Bonds6

About N-[[2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]ethanamine

N-[[2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]ethanamine (PubChem CID 66064251) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is N-[[2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]ethanamine
PubChem CID66064251
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC NameN-[[2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1ccnc(CSc2ccc(C)cc2)n1
InChIInChI=1S/C15H19N3S/c1-3-16-10-13-8-9-17-15(18-13)11-19-14-6-4-12(2)5-7-14/h4-9,16H,3,10-11H2,1-2H3
InChIKeyKIPVIOVKIPWMDD-UHFFFAOYSA-N
XLogP3.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]ethanamine 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-[[2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]ethanamine (CID 66064251) is N-[[2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]ethanamine is CCNCc1ccnc(CSc2ccc(C)cc2)n1.
What is the InChIKey of N-[[2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]ethanamine?
The InChIKey is KIPVIOVKIPWMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-3-16-10-13-8-9-17-15(18-13)11-19-14-6-4-12(2)5-7-14/h4-9,16H,3,10-11H2,1-2H3.
What are the key properties of N-[[2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]ethanamine?
N-[[2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]ethanamine has a molecular weight of 273.41 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 66064251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).