1-tert-butyl-3-[3-[(2-chlorophenyl)methoxy]pyrazin-2-yl]urea

C16H19ClN4O2 — CID 142715610

IUPAC1-tert-butyl-3-[3-[(2-chlorophenyl)methoxy]pyrazin-2-yl]urea
SMILESCC(C)(C)NC(=O)Nc1nccnc1OCc1ccccc1Cl
InChIInChI=1S/C16H19ClN4O2/c1-16(2,3)21-15(22)20-13-14(19-9-8-18-13)23-10-11-6-4-5-7-12(11)17/h4-9H,10H2,1-3H3,(H2,18,20,21,22)
InChIKeyWQRBTNBYGCBSSE-UHFFFAOYSA-N
MW334.81 g/mol
LogP3.63
Rot. Bonds4

About 1-tert-butyl-3-[3-[(2-chlorophenyl)methoxy]pyrazin-2-yl]urea

1-tert-butyl-3-[3-[(2-chlorophenyl)methoxy]pyrazin-2-yl]urea (PubChem CID 142715610) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 1-tert-butyl-3-[3-[(2-chlorophenyl)methoxy]pyrazin-2-yl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[3-[(2-chlorophenyl)methoxy]pyrazin-2-yl]urea
PubChem CID142715610
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name1-tert-butyl-3-[3-[(2-chlorophenyl)methoxy]pyrazin-2-yl]urea
SMILESCC(C)(C)NC(=O)Nc1nccnc1OCc1ccccc1Cl
InChIInChI=1S/C16H19ClN4O2/c1-16(2,3)21-15(22)20-13-14(19-9-8-18-13)23-10-11-6-4-5-7-12(11)17/h4-9H,10H2,1-3H3,(H2,18,20,21,22)
InChIKeyWQRBTNBYGCBSSE-UHFFFAOYSA-N
XLogP3.63
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyl-3-[3-[(2-chlorophenyl)methoxy]pyrazin-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-tert-butyl-3-[3-[(2-chlorophenyl)methoxy]pyrazin-2-yl]urea?
The IUPAC name of 1-tert-butyl-3-[3-[(2-chlorophenyl)methoxy]pyrazin-2-yl]urea (CID 142715610) is 1-tert-butyl-3-[3-[(2-chlorophenyl)methoxy]pyrazin-2-yl]urea.
What is the SMILES notation for 1-tert-butyl-3-[3-[(2-chlorophenyl)methoxy]pyrazin-2-yl]urea?
The canonical SMILES for 1-tert-butyl-3-[3-[(2-chlorophenyl)methoxy]pyrazin-2-yl]urea is CC(C)(C)NC(=O)Nc1nccnc1OCc1ccccc1Cl.
What is the InChIKey of 1-tert-butyl-3-[3-[(2-chlorophenyl)methoxy]pyrazin-2-yl]urea?
The InChIKey is WQRBTNBYGCBSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-16(2,3)21-15(22)20-13-14(19-9-8-18-13)23-10-11-6-4-5-7-12(11)17/h4-9H,10H2,1-3H3,(H2,18,20,21,22).
What are the key properties of 1-tert-butyl-3-[3-[(2-chlorophenyl)methoxy]pyrazin-2-yl]urea?
1-tert-butyl-3-[3-[(2-chlorophenyl)methoxy]pyrazin-2-yl]urea has a molecular weight of 334.81 g/mol, XLogP of 3.63, 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-[(2-chlorophenyl)methoxy]pyrazin-2-yl]urea is sourced from PubChem (CID 142715610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).