1-tert-butyl-3-(3-phenylmethoxypyrazin-2-yl)urea

C16H20N4O2 — CID 142715626

IUPAC1-tert-butyl-3-(3-phenylmethoxypyrazin-2-yl)urea
SMILESCC(C)(C)NC(=O)Nc1nccnc1OCc1ccccc1
InChIInChI=1S/C16H20N4O2/c1-16(2,3)20-15(21)19-13-14(18-10-9-17-13)22-11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H2,17,19,20,21)
InChIKeyGPQOUXTYBBTGIW-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.98
Rot. Bonds4

About 1-tert-butyl-3-(3-phenylmethoxypyrazin-2-yl)urea

1-tert-butyl-3-(3-phenylmethoxypyrazin-2-yl)urea (PubChem CID 142715626) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-tert-butyl-3-(3-phenylmethoxypyrazin-2-yl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(3-phenylmethoxypyrazin-2-yl)urea
PubChem CID142715626
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-tert-butyl-3-(3-phenylmethoxypyrazin-2-yl)urea
SMILESCC(C)(C)NC(=O)Nc1nccnc1OCc1ccccc1
InChIInChI=1S/C16H20N4O2/c1-16(2,3)20-15(21)19-13-14(18-10-9-17-13)22-11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H2,17,19,20,21)
InChIKeyGPQOUXTYBBTGIW-UHFFFAOYSA-N
XLogP2.98
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(3-phenylmethoxypyrazin-2-yl)urea?
The IUPAC name of 1-tert-butyl-3-(3-phenylmethoxypyrazin-2-yl)urea (CID 142715626) is 1-tert-butyl-3-(3-phenylmethoxypyrazin-2-yl)urea.
What is the SMILES notation for 1-tert-butyl-3-(3-phenylmethoxypyrazin-2-yl)urea?
The canonical SMILES for 1-tert-butyl-3-(3-phenylmethoxypyrazin-2-yl)urea is CC(C)(C)NC(=O)Nc1nccnc1OCc1ccccc1.
What is the InChIKey of 1-tert-butyl-3-(3-phenylmethoxypyrazin-2-yl)urea?
The InChIKey is GPQOUXTYBBTGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-16(2,3)20-15(21)19-13-14(18-10-9-17-13)22-11-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H2,17,19,20,21).
What are the key properties of 1-tert-butyl-3-(3-phenylmethoxypyrazin-2-yl)urea?
1-tert-butyl-3-(3-phenylmethoxypyrazin-2-yl)urea has a molecular weight of 300.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(3-phenylmethoxypyrazin-2-yl)urea is sourced from PubChem (CID 142715626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).