1-(2-methoxy-5-methylphenyl)-3-(6-methoxypyrazin-2-yl)urea

C14H16N4O3 — CID 22046488

IUPAC1-(2-methoxy-5-methylphenyl)-3-(6-methoxypyrazin-2-yl)urea
SMILESCOc1cncc(NC(=O)Nc2cc(C)ccc2OC)n1
InChIInChI=1S/C14H16N4O3/c1-9-4-5-11(20-2)10(6-9)16-14(19)18-12-7-15-8-13(17-12)21-3/h4-8H,1-3H3,(H2,16,17,18,19)
InChIKeyPSJAZZXARPAYNL-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.45
Rot. Bonds4

About 1-(2-methoxy-5-methylphenyl)-3-(6-methoxypyrazin-2-yl)urea

1-(2-methoxy-5-methylphenyl)-3-(6-methoxypyrazin-2-yl)urea (PubChem CID 22046488) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-3-(6-methoxypyrazin-2-yl)urea.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-3-(6-methoxypyrazin-2-yl)urea
PubChem CID22046488
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name1-(2-methoxy-5-methylphenyl)-3-(6-methoxypyrazin-2-yl)urea
SMILESCOc1cncc(NC(=O)Nc2cc(C)ccc2OC)n1
InChIInChI=1S/C14H16N4O3/c1-9-4-5-11(20-2)10(6-9)16-14(19)18-12-7-15-8-13(17-12)21-3/h4-8H,1-3H3,(H2,16,17,18,19)
InChIKeyPSJAZZXARPAYNL-UHFFFAOYSA-N
XLogP2.45
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxy-5-methylphenyl)-3-pyrazin-2-ylurea
CID 6466621
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
1-[5-(aminomethyl)pyrazin-2-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 22046500
1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 17284854
methyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate
CID 108992050
1-(2-methoxy-5-methylphenyl)-3-[(E)-prop-1-enyl]urea
CID 108909499
ethane;(2-methoxy-5-methylphenyl)urea
CID 142042876
N-(2-methoxy-5-methylphenyl)-1,3-thiazole-5-carboxamide
CID 110860261
1-(2-tert-butylphenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 108991730
1-(2-methoxy-5-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3797502
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
1-[(2-methoxyacetyl)amino]-3-(2-methoxy-5-methylphenyl)urea
CID 2206228

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(6-methoxypyrazin-2-yl)urea?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-3-(6-methoxypyrazin-2-yl)urea (CID 22046488) is 1-(2-methoxy-5-methylphenyl)-3-(6-methoxypyrazin-2-yl)urea.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-3-(6-methoxypyrazin-2-yl)urea?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-3-(6-methoxypyrazin-2-yl)urea is COc1cncc(NC(=O)Nc2cc(C)ccc2OC)n1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-3-(6-methoxypyrazin-2-yl)urea?
The InChIKey is PSJAZZXARPAYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9-4-5-11(20-2)10(6-9)16-14(19)18-12-7-15-8-13(17-12)21-3/h4-8H,1-3H3,(H2,16,17,18,19).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-3-(6-methoxypyrazin-2-yl)urea?
1-(2-methoxy-5-methylphenyl)-3-(6-methoxypyrazin-2-yl)urea has a molecular weight of 288.31 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-3-(6-methoxypyrazin-2-yl)urea is sourced from PubChem (CID 22046488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).