1-[3-[(2-chlorophenyl)methoxy]pyrazin-2-yl]-3-(2-piperazin-1-ylethyl)urea

C18H23ClN6O2 — CID 142715557

IUPAC1-[3-[(2-chlorophenyl)methoxy]pyrazin-2-yl]-3-(2-piperazin-1-ylethyl)urea
SMILESO=C(NCCN1CCNCC1)Nc1nccnc1OCc1ccccc1Cl
InChIInChI=1S/C18H23ClN6O2/c19-15-4-2-1-3-14(15)13-27-17-16(21-5-6-22-17)24-18(26)23-9-12-25-10-7-20-8-11-25/h1-6,20H,7-13H2,(H2,21,23,24,26)
InChIKeyUARAAYCPEVNGBF-UHFFFAOYSA-N
MW390.88 g/mol
LogP1.74
Rot. Bonds7

About 1-[3-[(2-chlorophenyl)methoxy]pyrazin-2-yl]-3-(2-piperazin-1-ylethyl)urea

1-[3-[(2-chlorophenyl)methoxy]pyrazin-2-yl]-3-(2-piperazin-1-ylethyl)urea (PubChem CID 142715557) has the molecular formula C18H23ClN6O2 and a molecular weight of 390.88 g/mol. Its IUPAC name is 1-[3-[(2-chlorophenyl)methoxy]pyrazin-2-yl]-3-(2-piperazin-1-ylethyl)urea.

Molecular Properties

Compound Name1-[3-[(2-chlorophenyl)methoxy]pyrazin-2-yl]-3-(2-piperazin-1-ylethyl)urea
PubChem CID142715557
Molecular FormulaC18H23ClN6O2
Molecular Weight390.88 g/mol
Exact Mass390.16
IUPAC Name1-[3-[(2-chlorophenyl)methoxy]pyrazin-2-yl]-3-(2-piperazin-1-ylethyl)urea
SMILESO=C(NCCN1CCNCC1)Nc1nccnc1OCc1ccccc1Cl
InChIInChI=1S/C18H23ClN6O2/c19-15-4-2-1-3-14(15)13-27-17-16(21-5-6-22-17)24-18(26)23-9-12-25-10-7-20-8-11-25/h1-6,20H,7-13H2,(H2,21,23,24,26)
InChIKeyUARAAYCPEVNGBF-UHFFFAOYSA-N
XLogP1.74
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.88
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-chlorophenyl)methoxy]pyrazin-2-yl]-3-(2-piperazin-1-ylethyl)urea?
The IUPAC name of 1-[3-[(2-chlorophenyl)methoxy]pyrazin-2-yl]-3-(2-piperazin-1-ylethyl)urea (CID 142715557) is 1-[3-[(2-chlorophenyl)methoxy]pyrazin-2-yl]-3-(2-piperazin-1-ylethyl)urea.
What is the SMILES notation for 1-[3-[(2-chlorophenyl)methoxy]pyrazin-2-yl]-3-(2-piperazin-1-ylethyl)urea?
The canonical SMILES for 1-[3-[(2-chlorophenyl)methoxy]pyrazin-2-yl]-3-(2-piperazin-1-ylethyl)urea is O=C(NCCN1CCNCC1)Nc1nccnc1OCc1ccccc1Cl.
What is the InChIKey of 1-[3-[(2-chlorophenyl)methoxy]pyrazin-2-yl]-3-(2-piperazin-1-ylethyl)urea?
The InChIKey is UARAAYCPEVNGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O2/c19-15-4-2-1-3-14(15)13-27-17-16(21-5-6-22-17)24-18(26)23-9-12-25-10-7-20-8-11-25/h1-6,20H,7-13H2,(H2,21,23,24,26).
What are the key properties of 1-[3-[(2-chlorophenyl)methoxy]pyrazin-2-yl]-3-(2-piperazin-1-ylethyl)urea?
1-[3-[(2-chlorophenyl)methoxy]pyrazin-2-yl]-3-(2-piperazin-1-ylethyl)urea has a molecular weight of 390.88 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-chlorophenyl)methoxy]pyrazin-2-yl]-3-(2-piperazin-1-ylethyl)urea is sourced from PubChem (CID 142715557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).