1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-phenylmethoxypyrazin-2-yl)urea

C19H26N6O2 — CID 142715645

IUPAC1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-phenylmethoxypyrazin-2-yl)urea
SMILESCN1CCN(CCNC(=O)Nc2nccnc2OCc2ccccc2)CC1
InChIInChI=1S/C19H26N6O2/c1-24-11-13-25(14-12-24)10-9-22-19(26)23-17-18(21-8-7-20-17)27-15-16-5-3-2-4-6-16/h2-8H,9-15H2,1H3,(H2,20,22,23,26)
InChIKeyYADOIDFOLHQENZ-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.42
Rot. Bonds7

About 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-phenylmethoxypyrazin-2-yl)urea

1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-phenylmethoxypyrazin-2-yl)urea (PubChem CID 142715645) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-phenylmethoxypyrazin-2-yl)urea.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-phenylmethoxypyrazin-2-yl)urea
PubChem CID142715645
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-phenylmethoxypyrazin-2-yl)urea
SMILESCN1CCN(CCNC(=O)Nc2nccnc2OCc2ccccc2)CC1
InChIInChI=1S/C19H26N6O2/c1-24-11-13-25(14-12-24)10-9-22-19(26)23-17-18(21-8-7-20-17)27-15-16-5-3-2-4-6-16/h2-8H,9-15H2,1H3,(H2,20,22,23,26)
InChIKeyYADOIDFOLHQENZ-UHFFFAOYSA-N
XLogP1.42
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-phenylmethoxypyrazin-2-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-phenylmethoxypyrazin-2-yl)urea?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-phenylmethoxypyrazin-2-yl)urea (CID 142715645) is 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-phenylmethoxypyrazin-2-yl)urea.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-phenylmethoxypyrazin-2-yl)urea?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-phenylmethoxypyrazin-2-yl)urea is CN1CCN(CCNC(=O)Nc2nccnc2OCc2ccccc2)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-phenylmethoxypyrazin-2-yl)urea?
The InChIKey is YADOIDFOLHQENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-24-11-13-25(14-12-24)10-9-22-19(26)23-17-18(21-8-7-20-17)27-15-16-5-3-2-4-6-16/h2-8H,9-15H2,1H3,(H2,20,22,23,26).
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-phenylmethoxypyrazin-2-yl)urea?
1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-phenylmethoxypyrazin-2-yl)urea has a molecular weight of 370.46 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)ethyl]-3-(3-phenylmethoxypyrazin-2-yl)urea is sourced from PubChem (CID 142715645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).