1-(3-phenylmethoxypyrazin-2-yl)-3-(2,4,4-trimethylpentan-2-yl)urea

C20H28N4O2 — CID 142715624

IUPAC1-(3-phenylmethoxypyrazin-2-yl)-3-(2,4,4-trimethylpentan-2-yl)urea
SMILESCC(C)(C)CC(C)(C)NC(=O)Nc1nccnc1OCc1ccccc1
InChIInChI=1S/C20H28N4O2/c1-19(2,3)14-20(4,5)24-18(25)23-16-17(22-12-11-21-16)26-13-15-9-7-6-8-10-15/h6-12H,13-14H2,1-5H3,(H2,21,23,24,25)
InChIKeyAJJJDZLWEJCOQY-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.39
Rot. Bonds6

About 1-(3-phenylmethoxypyrazin-2-yl)-3-(2,4,4-trimethylpentan-2-yl)urea

1-(3-phenylmethoxypyrazin-2-yl)-3-(2,4,4-trimethylpentan-2-yl)urea (PubChem CID 142715624) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(3-phenylmethoxypyrazin-2-yl)-3-(2,4,4-trimethylpentan-2-yl)urea.

Molecular Properties

Compound Name1-(3-phenylmethoxypyrazin-2-yl)-3-(2,4,4-trimethylpentan-2-yl)urea
PubChem CID142715624
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-(3-phenylmethoxypyrazin-2-yl)-3-(2,4,4-trimethylpentan-2-yl)urea
SMILESCC(C)(C)CC(C)(C)NC(=O)Nc1nccnc1OCc1ccccc1
InChIInChI=1S/C20H28N4O2/c1-19(2,3)14-20(4,5)24-18(25)23-16-17(22-12-11-21-16)26-13-15-9-7-6-8-10-15/h6-12H,13-14H2,1-5H3,(H2,21,23,24,25)
InChIKeyAJJJDZLWEJCOQY-UHFFFAOYSA-N
XLogP4.39
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylmethoxypyrazin-2-yl)-3-(2,4,4-trimethylpentan-2-yl)urea?
The IUPAC name of 1-(3-phenylmethoxypyrazin-2-yl)-3-(2,4,4-trimethylpentan-2-yl)urea (CID 142715624) is 1-(3-phenylmethoxypyrazin-2-yl)-3-(2,4,4-trimethylpentan-2-yl)urea.
What is the SMILES notation for 1-(3-phenylmethoxypyrazin-2-yl)-3-(2,4,4-trimethylpentan-2-yl)urea?
The canonical SMILES for 1-(3-phenylmethoxypyrazin-2-yl)-3-(2,4,4-trimethylpentan-2-yl)urea is CC(C)(C)CC(C)(C)NC(=O)Nc1nccnc1OCc1ccccc1.
What is the InChIKey of 1-(3-phenylmethoxypyrazin-2-yl)-3-(2,4,4-trimethylpentan-2-yl)urea?
The InChIKey is AJJJDZLWEJCOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-19(2,3)14-20(4,5)24-18(25)23-16-17(22-12-11-21-16)26-13-15-9-7-6-8-10-15/h6-12H,13-14H2,1-5H3,(H2,21,23,24,25).
What are the key properties of 1-(3-phenylmethoxypyrazin-2-yl)-3-(2,4,4-trimethylpentan-2-yl)urea?
1-(3-phenylmethoxypyrazin-2-yl)-3-(2,4,4-trimethylpentan-2-yl)urea has a molecular weight of 356.47 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylmethoxypyrazin-2-yl)-3-(2,4,4-trimethylpentan-2-yl)urea is sourced from PubChem (CID 142715624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).