1-(5-methylpyrazin-2-yl)-3-[2-[[(2R)-morpholin-2-yl]methoxy]-5-sulfanylphenyl]urea

C17H21N5O3S — CID 143303789

IUPAC1-(5-methylpyrazin-2-yl)-3-[2-[[(2R)-morpholin-2-yl]methoxy]-5-sulfanylphenyl]urea
SMILESCc1cnc(NC(=O)Nc2cc(S)ccc2OC[C@H]2CNCCO2)cn1
InChIInChI=1S/C17H21N5O3S/c1-11-7-20-16(9-19-11)22-17(23)21-14-6-13(26)2-3-15(14)25-10-12-8-18-4-5-24-12/h2-3,6-7,9,12,18,26H,4-5,8,10H2,1H3,(H2,20,21,22,23)/t12-/m1/s1
InChIKeyKKRVMPLUTOLTIH-GFCCVEGCSA-N
MW375.45 g/mol
LogP2.08
Rot. Bonds5

About 1-(5-methylpyrazin-2-yl)-3-[2-[[(2R)-morpholin-2-yl]methoxy]-5-sulfanylphenyl]urea

1-(5-methylpyrazin-2-yl)-3-[2-[[(2R)-morpholin-2-yl]methoxy]-5-sulfanylphenyl]urea (PubChem CID 143303789) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is 1-(5-methylpyrazin-2-yl)-3-[2-[[(2R)-morpholin-2-yl]methoxy]-5-sulfanylphenyl]urea.

Molecular Properties

Compound Name1-(5-methylpyrazin-2-yl)-3-[2-[[(2R)-morpholin-2-yl]methoxy]-5-sulfanylphenyl]urea
PubChem CID143303789
Molecular FormulaC17H21N5O3S
Molecular Weight375.45 g/mol
Exact Mass375.14
IUPAC Name1-(5-methylpyrazin-2-yl)-3-[2-[[(2R)-morpholin-2-yl]methoxy]-5-sulfanylphenyl]urea
SMILESCc1cnc(NC(=O)Nc2cc(S)ccc2OC[C@H]2CNCCO2)cn1
InChIInChI=1S/C17H21N5O3S/c1-11-7-20-16(9-19-11)22-17(23)21-14-6-13(26)2-3-15(14)25-10-12-8-18-4-5-24-12/h2-3,6-7,9,12,18,26H,4-5,8,10H2,1H3,(H2,20,21,22,23)/t12-/m1/s1
InChIKeyKKRVMPLUTOLTIH-GFCCVEGCSA-N
XLogP2.08
TPSA97.40 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylpyrazin-2-yl)-3-[2-[[(2R)-morpholin-2-yl]methoxy]-5-sulfanylphenyl]urea?
The IUPAC name of 1-(5-methylpyrazin-2-yl)-3-[2-[[(2R)-morpholin-2-yl]methoxy]-5-sulfanylphenyl]urea (CID 143303789) is 1-(5-methylpyrazin-2-yl)-3-[2-[[(2R)-morpholin-2-yl]methoxy]-5-sulfanylphenyl]urea.
What is the SMILES notation for 1-(5-methylpyrazin-2-yl)-3-[2-[[(2R)-morpholin-2-yl]methoxy]-5-sulfanylphenyl]urea?
The canonical SMILES for 1-(5-methylpyrazin-2-yl)-3-[2-[[(2R)-morpholin-2-yl]methoxy]-5-sulfanylphenyl]urea is Cc1cnc(NC(=O)Nc2cc(S)ccc2OC[C@H]2CNCCO2)cn1.
What is the InChIKey of 1-(5-methylpyrazin-2-yl)-3-[2-[[(2R)-morpholin-2-yl]methoxy]-5-sulfanylphenyl]urea?
The InChIKey is KKRVMPLUTOLTIH-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21N5O3S/c1-11-7-20-16(9-19-11)22-17(23)21-14-6-13(26)2-3-15(14)25-10-12-8-18-4-5-24-12/h2-3,6-7,9,12,18,26H,4-5,8,10H2,1H3,(H2,20,21,22,23)/t12-/m1/s1.
What are the key properties of 1-(5-methylpyrazin-2-yl)-3-[2-[[(2R)-morpholin-2-yl]methoxy]-5-sulfanylphenyl]urea?
1-(5-methylpyrazin-2-yl)-3-[2-[[(2R)-morpholin-2-yl]methoxy]-5-sulfanylphenyl]urea has a molecular weight of 375.45 g/mol, XLogP of 2.08, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylpyrazin-2-yl)-3-[2-[[(2R)-morpholin-2-yl]methoxy]-5-sulfanylphenyl]urea is sourced from PubChem (CID 143303789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).