N-methyl-1-[4-(2-methylsulfanylphenoxy)pyrimidin-5-yl]methanamine

C13H15N3OS — CID 114217154

IUPACN-methyl-1-[4-(2-methylsulfanylphenoxy)pyrimidin-5-yl]methanamine
SMILESCNCc1cncnc1Oc1ccccc1SC
InChIInChI=1S/C13H15N3OS/c1-14-7-10-8-15-9-16-13(10)17-11-5-3-4-6-12(11)18-2/h3-6,8-9,14H,7H2,1-2H3
InChIKeyLMIKRNNJVJHBMG-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.71
Rot. Bonds5

About N-methyl-1-[4-(2-methylsulfanylphenoxy)pyrimidin-5-yl]methanamine

N-methyl-1-[4-(2-methylsulfanylphenoxy)pyrimidin-5-yl]methanamine (PubChem CID 114217154) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-methyl-1-[4-(2-methylsulfanylphenoxy)pyrimidin-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-methylsulfanylphenoxy)pyrimidin-5-yl]methanamine
PubChem CID114217154
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-methyl-1-[4-(2-methylsulfanylphenoxy)pyrimidin-5-yl]methanamine
SMILESCNCc1cncnc1Oc1ccccc1SC
InChIInChI=1S/C13H15N3OS/c1-14-7-10-8-15-9-16-13(10)17-11-5-3-4-6-12(11)18-2/h3-6,8-9,14H,7H2,1-2H3
InChIKeyLMIKRNNJVJHBMG-UHFFFAOYSA-N
XLogP2.71
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-methylsulfanylphenoxy)pyrimidin-5-yl]methanamine?
The IUPAC name of N-methyl-1-[4-(2-methylsulfanylphenoxy)pyrimidin-5-yl]methanamine (CID 114217154) is N-methyl-1-[4-(2-methylsulfanylphenoxy)pyrimidin-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(2-methylsulfanylphenoxy)pyrimidin-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-(2-methylsulfanylphenoxy)pyrimidin-5-yl]methanamine is CNCc1cncnc1Oc1ccccc1SC.
What is the InChIKey of N-methyl-1-[4-(2-methylsulfanylphenoxy)pyrimidin-5-yl]methanamine?
The InChIKey is LMIKRNNJVJHBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-14-7-10-8-15-9-16-13(10)17-11-5-3-4-6-12(11)18-2/h3-6,8-9,14H,7H2,1-2H3.
What are the key properties of N-methyl-1-[4-(2-methylsulfanylphenoxy)pyrimidin-5-yl]methanamine?
N-methyl-1-[4-(2-methylsulfanylphenoxy)pyrimidin-5-yl]methanamine has a molecular weight of 261.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-methylsulfanylphenoxy)pyrimidin-5-yl]methanamine is sourced from PubChem (CID 114217154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).