[2-chloro-5-(4-ethylpyrimidin-5-yl)phenyl]-morpholin-4-yldiazene

C16H18ClN5O — CID 142637687

IUPAC[2-chloro-5-(4-ethylpyrimidin-5-yl)phenyl]-morpholin-4-yldiazene
SMILESCCc1ncncc1-c1ccc(Cl)c(/N=N/N2CCOCC2)c1
InChIInChI=1S/C16H18ClN5O/c1-2-15-13(10-18-11-19-15)12-3-4-14(17)16(9-12)20-21-22-5-7-23-8-6-22/h3-4,9-11H,2,5-8H2,1H3/b21-20+
InChIKeyREXVVSQAJKRVRH-QZQOTICOSA-N
MW331.81 g/mol
LogP3.69
Rot. Bonds4

About [2-chloro-5-(4-ethylpyrimidin-5-yl)phenyl]-morpholin-4-yldiazene

[2-chloro-5-(4-ethylpyrimidin-5-yl)phenyl]-morpholin-4-yldiazene (PubChem CID 142637687) has the molecular formula C16H18ClN5O and a molecular weight of 331.81 g/mol. Its IUPAC name is [2-chloro-5-(4-ethylpyrimidin-5-yl)phenyl]-morpholin-4-yldiazene.

Molecular Properties

Compound Name[2-chloro-5-(4-ethylpyrimidin-5-yl)phenyl]-morpholin-4-yldiazene
PubChem CID142637687
Molecular FormulaC16H18ClN5O
Molecular Weight331.81 g/mol
Exact Mass331.12
IUPAC Name[2-chloro-5-(4-ethylpyrimidin-5-yl)phenyl]-morpholin-4-yldiazene
SMILESCCc1ncncc1-c1ccc(Cl)c(/N=N/N2CCOCC2)c1
InChIInChI=1S/C16H18ClN5O/c1-2-15-13(10-18-11-19-15)12-3-4-14(17)16(9-12)20-21-22-5-7-23-8-6-22/h3-4,9-11H,2,5-8H2,1H3/b21-20+
InChIKeyREXVVSQAJKRVRH-QZQOTICOSA-N
XLogP3.69
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.81
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

5-chloro-4-ethylpyrimidine
CID 19892100
N-[4-(2,4-dichlorophenyl)pyrimidin-5-yl]-1-morpholin-4-ylethanimine
CID 91568783
morpholin-4-yl(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)diazene
CID 177392936
4-[5-[5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]-2-pyridinyl]morpholine
CID 46981766
4-(3,4-dichlorophenyl)-N-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethyl)-1,3-thiazol-2-imine
CID 138392833
1-(3,4-dichlorophenyl)-N-morpholin-4-ylmethanimine
CID 23791709
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28505372
4-[4-(6-ethyl-5-methyl-2-pyridinyl)phenyl]morpholine
CID 121495176
4-(5-ethyl-3-pyridinyl)morpholine
CID 130219562
4-(4-chloro-5-methyl-2-pyridinyl)morpholine
CID 142202781
2-(4-ethyl-2-morpholin-4-ylpyrimidin-5-yl)acetaldehyde
CID 83896605
4-(chloromethyl)-5-(2,4-dichlorophenyl)pyrimidine
CID 130088742

Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-(4-ethylpyrimidin-5-yl)phenyl]-morpholin-4-yldiazene?
The IUPAC name of [2-chloro-5-(4-ethylpyrimidin-5-yl)phenyl]-morpholin-4-yldiazene (CID 142637687) is [2-chloro-5-(4-ethylpyrimidin-5-yl)phenyl]-morpholin-4-yldiazene.
What is the SMILES notation for [2-chloro-5-(4-ethylpyrimidin-5-yl)phenyl]-morpholin-4-yldiazene?
The canonical SMILES for [2-chloro-5-(4-ethylpyrimidin-5-yl)phenyl]-morpholin-4-yldiazene is CCc1ncncc1-c1ccc(Cl)c(/N=N/N2CCOCC2)c1.
What is the InChIKey of [2-chloro-5-(4-ethylpyrimidin-5-yl)phenyl]-morpholin-4-yldiazene?
The InChIKey is REXVVSQAJKRVRH-QZQOTICOSA-N. The full InChI is InChI=1S/C16H18ClN5O/c1-2-15-13(10-18-11-19-15)12-3-4-14(17)16(9-12)20-21-22-5-7-23-8-6-22/h3-4,9-11H,2,5-8H2,1H3/b21-20+.
What are the key properties of [2-chloro-5-(4-ethylpyrimidin-5-yl)phenyl]-morpholin-4-yldiazene?
[2-chloro-5-(4-ethylpyrimidin-5-yl)phenyl]-morpholin-4-yldiazene has a molecular weight of 331.81 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-5-(4-ethylpyrimidin-5-yl)phenyl]-morpholin-4-yldiazene is sourced from PubChem (CID 142637687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).