1-(2-chloroethyl)-3-(3-phenylmethoxypyrazin-2-yl)urea

C14H15ClN4O2 — CID 142715570

IUPAC1-(2-chloroethyl)-3-(3-phenylmethoxypyrazin-2-yl)urea
SMILESO=C(NCCCl)Nc1nccnc1OCc1ccccc1
InChIInChI=1S/C14H15ClN4O2/c15-6-7-18-14(20)19-12-13(17-9-8-16-12)21-10-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H2,16,18,19,20)
InChIKeyGAHIJAHTCTYAJG-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.42
Rot. Bonds6

About 1-(2-chloroethyl)-3-(3-phenylmethoxypyrazin-2-yl)urea

1-(2-chloroethyl)-3-(3-phenylmethoxypyrazin-2-yl)urea (PubChem CID 142715570) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 1-(2-chloroethyl)-3-(3-phenylmethoxypyrazin-2-yl)urea.

Molecular Properties

Compound Name1-(2-chloroethyl)-3-(3-phenylmethoxypyrazin-2-yl)urea
PubChem CID142715570
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name1-(2-chloroethyl)-3-(3-phenylmethoxypyrazin-2-yl)urea
SMILESO=C(NCCCl)Nc1nccnc1OCc1ccccc1
InChIInChI=1S/C14H15ClN4O2/c15-6-7-18-14(20)19-12-13(17-9-8-16-12)21-10-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H2,16,18,19,20)
InChIKeyGAHIJAHTCTYAJG-UHFFFAOYSA-N
XLogP2.42
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-3-(3-phenylmethoxypyrazin-2-yl)urea?
The IUPAC name of 1-(2-chloroethyl)-3-(3-phenylmethoxypyrazin-2-yl)urea (CID 142715570) is 1-(2-chloroethyl)-3-(3-phenylmethoxypyrazin-2-yl)urea.
What is the SMILES notation for 1-(2-chloroethyl)-3-(3-phenylmethoxypyrazin-2-yl)urea?
The canonical SMILES for 1-(2-chloroethyl)-3-(3-phenylmethoxypyrazin-2-yl)urea is O=C(NCCCl)Nc1nccnc1OCc1ccccc1.
What is the InChIKey of 1-(2-chloroethyl)-3-(3-phenylmethoxypyrazin-2-yl)urea?
The InChIKey is GAHIJAHTCTYAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c15-6-7-18-14(20)19-12-13(17-9-8-16-12)21-10-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H2,16,18,19,20).
What are the key properties of 1-(2-chloroethyl)-3-(3-phenylmethoxypyrazin-2-yl)urea?
1-(2-chloroethyl)-3-(3-phenylmethoxypyrazin-2-yl)urea has a molecular weight of 306.75 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-3-(3-phenylmethoxypyrazin-2-yl)urea is sourced from PubChem (CID 142715570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).