1-[3-[(4-chlorophenyl)methoxy]pyrazin-2-yl]-3-(2,4,4-trimethylpentan-2-yl)urea

C20H27ClN4O2 — CID 142715591

IUPAC1-[3-[(4-chlorophenyl)methoxy]pyrazin-2-yl]-3-(2,4,4-trimethylpentan-2-yl)urea
SMILESCC(C)(C)CC(C)(C)NC(=O)Nc1nccnc1OCc1ccc(Cl)cc1
InChIInChI=1S/C20H27ClN4O2/c1-19(2,3)13-20(4,5)25-18(26)24-16-17(23-11-10-22-16)27-12-14-6-8-15(21)9-7-14/h6-11H,12-13H2,1-5H3,(H2,22,24,25,26)
InChIKeyGISKVUCJTYHUOZ-UHFFFAOYSA-N
MW390.92 g/mol
LogP5.05
Rot. Bonds6

About 1-[3-[(4-chlorophenyl)methoxy]pyrazin-2-yl]-3-(2,4,4-trimethylpentan-2-yl)urea

1-[3-[(4-chlorophenyl)methoxy]pyrazin-2-yl]-3-(2,4,4-trimethylpentan-2-yl)urea (PubChem CID 142715591) has the molecular formula C20H27ClN4O2 and a molecular weight of 390.92 g/mol. Its IUPAC name is 1-[3-[(4-chlorophenyl)methoxy]pyrazin-2-yl]-3-(2,4,4-trimethylpentan-2-yl)urea.

Molecular Properties

Compound Name1-[3-[(4-chlorophenyl)methoxy]pyrazin-2-yl]-3-(2,4,4-trimethylpentan-2-yl)urea
PubChem CID142715591
Molecular FormulaC20H27ClN4O2
Molecular Weight390.92 g/mol
Exact Mass390.18
IUPAC Name1-[3-[(4-chlorophenyl)methoxy]pyrazin-2-yl]-3-(2,4,4-trimethylpentan-2-yl)urea
SMILESCC(C)(C)CC(C)(C)NC(=O)Nc1nccnc1OCc1ccc(Cl)cc1
InChIInChI=1S/C20H27ClN4O2/c1-19(2,3)13-20(4,5)25-18(26)24-16-17(23-11-10-22-16)27-12-14-6-8-15(21)9-7-14/h6-11H,12-13H2,1-5H3,(H2,22,24,25,26)
InChIKeyGISKVUCJTYHUOZ-UHFFFAOYSA-N
XLogP5.05
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.92
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-chlorophenyl)methoxy]pyrazin-2-yl]-3-(2,4,4-trimethylpentan-2-yl)urea?
The IUPAC name of 1-[3-[(4-chlorophenyl)methoxy]pyrazin-2-yl]-3-(2,4,4-trimethylpentan-2-yl)urea (CID 142715591) is 1-[3-[(4-chlorophenyl)methoxy]pyrazin-2-yl]-3-(2,4,4-trimethylpentan-2-yl)urea.
What is the SMILES notation for 1-[3-[(4-chlorophenyl)methoxy]pyrazin-2-yl]-3-(2,4,4-trimethylpentan-2-yl)urea?
The canonical SMILES for 1-[3-[(4-chlorophenyl)methoxy]pyrazin-2-yl]-3-(2,4,4-trimethylpentan-2-yl)urea is CC(C)(C)CC(C)(C)NC(=O)Nc1nccnc1OCc1ccc(Cl)cc1.
What is the InChIKey of 1-[3-[(4-chlorophenyl)methoxy]pyrazin-2-yl]-3-(2,4,4-trimethylpentan-2-yl)urea?
The InChIKey is GISKVUCJTYHUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O2/c1-19(2,3)13-20(4,5)25-18(26)24-16-17(23-11-10-22-16)27-12-14-6-8-15(21)9-7-14/h6-11H,12-13H2,1-5H3,(H2,22,24,25,26).
What are the key properties of 1-[3-[(4-chlorophenyl)methoxy]pyrazin-2-yl]-3-(2,4,4-trimethylpentan-2-yl)urea?
1-[3-[(4-chlorophenyl)methoxy]pyrazin-2-yl]-3-(2,4,4-trimethylpentan-2-yl)urea has a molecular weight of 390.92 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-chlorophenyl)methoxy]pyrazin-2-yl]-3-(2,4,4-trimethylpentan-2-yl)urea is sourced from PubChem (CID 142715591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).