1-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)-1-(pyrazin-2-ylmethyl)urea

C15H20N4OS — CID 71867973

IUPAC1-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)-1-(pyrazin-2-ylmethyl)urea
SMILESCC(CNC(=O)N(C)Cc1cnccn1)Cc1cccs1
InChIInChI=1S/C15H20N4OS/c1-12(8-14-4-3-7-21-14)9-18-15(20)19(2)11-13-10-16-5-6-17-13/h3-7,10,12H,8-9,11H2,1-2H3,(H,18,20)
InChIKeyJDXLAJKYZXAMOM-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.56
Rot. Bonds6

About 1-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)-1-(pyrazin-2-ylmethyl)urea

1-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)-1-(pyrazin-2-ylmethyl)urea (PubChem CID 71867973) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)-1-(pyrazin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)-1-(pyrazin-2-ylmethyl)urea
PubChem CID71867973
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name1-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)-1-(pyrazin-2-ylmethyl)urea
SMILESCC(CNC(=O)N(C)Cc1cnccn1)Cc1cccs1
InChIInChI=1S/C15H20N4OS/c1-12(8-14-4-3-7-21-14)9-18-15(20)19(2)11-13-10-16-5-6-17-13/h3-7,10,12H,8-9,11H2,1-2H3,(H,18,20)
InChIKeyJDXLAJKYZXAMOM-UHFFFAOYSA-N
XLogP2.56
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)-1-(pyrazin-2-ylmethyl)urea?
The IUPAC name of 1-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)-1-(pyrazin-2-ylmethyl)urea (CID 71867973) is 1-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)-1-(pyrazin-2-ylmethyl)urea.
What is the SMILES notation for 1-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)-1-(pyrazin-2-ylmethyl)urea?
The canonical SMILES for 1-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)-1-(pyrazin-2-ylmethyl)urea is CC(CNC(=O)N(C)Cc1cnccn1)Cc1cccs1.
What is the InChIKey of 1-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)-1-(pyrazin-2-ylmethyl)urea?
The InChIKey is JDXLAJKYZXAMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-12(8-14-4-3-7-21-14)9-18-15(20)19(2)11-13-10-16-5-6-17-13/h3-7,10,12H,8-9,11H2,1-2H3,(H,18,20).
What are the key properties of 1-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)-1-(pyrazin-2-ylmethyl)urea?
1-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)-1-(pyrazin-2-ylmethyl)urea has a molecular weight of 304.42 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methyl-3-thiophen-2-ylpropyl)-1-(pyrazin-2-ylmethyl)urea is sourced from PubChem (CID 71867973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).