1-[1-(3,5-dimethylphenyl)ethyl]-3-(pyrazin-2-ylmethyl)urea

C16H20N4O — CID 138010015

IUPAC1-[1-(3,5-dimethylphenyl)ethyl]-3-(pyrazin-2-ylmethyl)urea
SMILESCc1cc(C)cc(C(C)NC(=O)NCc2cnccn2)c1
InChIInChI=1S/C16H20N4O/c1-11-6-12(2)8-14(7-11)13(3)20-16(21)19-10-15-9-17-4-5-18-15/h4-9,13H,10H2,1-3H3,(H2,19,20,21)
InChIKeyFOCHJKKUHCPXDF-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.65
Rot. Bonds4

About 1-[1-(3,5-dimethylphenyl)ethyl]-3-(pyrazin-2-ylmethyl)urea

1-[1-(3,5-dimethylphenyl)ethyl]-3-(pyrazin-2-ylmethyl)urea (PubChem CID 138010015) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[1-(3,5-dimethylphenyl)ethyl]-3-(pyrazin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[1-(3,5-dimethylphenyl)ethyl]-3-(pyrazin-2-ylmethyl)urea
PubChem CID138010015
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-[1-(3,5-dimethylphenyl)ethyl]-3-(pyrazin-2-ylmethyl)urea
SMILESCc1cc(C)cc(C(C)NC(=O)NCc2cnccn2)c1
InChIInChI=1S/C16H20N4O/c1-11-6-12(2)8-14(7-11)13(3)20-16(21)19-10-15-9-17-4-5-18-15/h4-9,13H,10H2,1-3H3,(H2,19,20,21)
InChIKeyFOCHJKKUHCPXDF-UHFFFAOYSA-N
XLogP2.65
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dimethylphenyl)ethyl]-3-(pyrazin-2-ylmethyl)urea?
The IUPAC name of 1-[1-(3,5-dimethylphenyl)ethyl]-3-(pyrazin-2-ylmethyl)urea (CID 138010015) is 1-[1-(3,5-dimethylphenyl)ethyl]-3-(pyrazin-2-ylmethyl)urea.
What is the SMILES notation for 1-[1-(3,5-dimethylphenyl)ethyl]-3-(pyrazin-2-ylmethyl)urea?
The canonical SMILES for 1-[1-(3,5-dimethylphenyl)ethyl]-3-(pyrazin-2-ylmethyl)urea is Cc1cc(C)cc(C(C)NC(=O)NCc2cnccn2)c1.
What is the InChIKey of 1-[1-(3,5-dimethylphenyl)ethyl]-3-(pyrazin-2-ylmethyl)urea?
The InChIKey is FOCHJKKUHCPXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-6-12(2)8-14(7-11)13(3)20-16(21)19-10-15-9-17-4-5-18-15/h4-9,13H,10H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-[1-(3,5-dimethylphenyl)ethyl]-3-(pyrazin-2-ylmethyl)urea?
1-[1-(3,5-dimethylphenyl)ethyl]-3-(pyrazin-2-ylmethyl)urea has a molecular weight of 284.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dimethylphenyl)ethyl]-3-(pyrazin-2-ylmethyl)urea is sourced from PubChem (CID 138010015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).