N-[[2-(aminomethyl)phenyl]methyl]-6-methyl-2-thiophen-2-ylpyrimidin-4-amine

C17H18N4S — CID 166362743

IUPACN-[[2-(aminomethyl)phenyl]methyl]-6-methyl-2-thiophen-2-ylpyrimidin-4-amine
SMILESCc1cc(NCc2ccccc2CN)nc(-c2cccs2)n1
InChIInChI=1S/C17H18N4S/c1-12-9-16(21-17(20-12)15-7-4-8-22-15)19-11-14-6-3-2-5-13(14)10-18/h2-9H,10-11,18H2,1H3,(H,19,20,21)
InChIKeyWLKJVENLMBHAFA-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.58
Rot. Bonds5

About N-[[2-(aminomethyl)phenyl]methyl]-6-methyl-2-thiophen-2-ylpyrimidin-4-amine

N-[[2-(aminomethyl)phenyl]methyl]-6-methyl-2-thiophen-2-ylpyrimidin-4-amine (PubChem CID 166362743) has the molecular formula C17H18N4S and a molecular weight of 310.43 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-6-methyl-2-thiophen-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-6-methyl-2-thiophen-2-ylpyrimidin-4-amine
PubChem CID166362743
Molecular FormulaC17H18N4S
Molecular Weight310.43 g/mol
Exact Mass310.13
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-6-methyl-2-thiophen-2-ylpyrimidin-4-amine
SMILESCc1cc(NCc2ccccc2CN)nc(-c2cccs2)n1
InChIInChI=1S/C17H18N4S/c1-12-9-16(21-17(20-12)15-7-4-8-22-15)19-11-14-6-3-2-5-13(14)10-18/h2-9H,10-11,18H2,1H3,(H,19,20,21)
InChIKeyWLKJVENLMBHAFA-UHFFFAOYSA-N
XLogP3.58
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-6-methyl-2-thiophen-2-ylpyrimidin-4-amine?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-6-methyl-2-thiophen-2-ylpyrimidin-4-amine (CID 166362743) is N-[[2-(aminomethyl)phenyl]methyl]-6-methyl-2-thiophen-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-6-methyl-2-thiophen-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-6-methyl-2-thiophen-2-ylpyrimidin-4-amine is Cc1cc(NCc2ccccc2CN)nc(-c2cccs2)n1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-6-methyl-2-thiophen-2-ylpyrimidin-4-amine?
The InChIKey is WLKJVENLMBHAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4S/c1-12-9-16(21-17(20-12)15-7-4-8-22-15)19-11-14-6-3-2-5-13(14)10-18/h2-9H,10-11,18H2,1H3,(H,19,20,21).
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-6-methyl-2-thiophen-2-ylpyrimidin-4-amine?
N-[[2-(aminomethyl)phenyl]methyl]-6-methyl-2-thiophen-2-ylpyrimidin-4-amine has a molecular weight of 310.43 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-6-methyl-2-thiophen-2-ylpyrimidin-4-amine is sourced from PubChem (CID 166362743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).