5,6-bis(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine

C23H24Cl2N4O — CID 71199797

IUPAC5,6-bis(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine
SMILESClc1ccc(-c2ncc(NCCCN3CCOCC3)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H24Cl2N4O/c24-19-6-2-17(3-7-19)22-23(18-4-8-20(25)9-5-18)28-21(16-27-22)26-10-1-11-29-12-14-30-15-13-29/h2-9,16H,1,10-15H2,(H,26,28)
InChIKeyTZVLTLCABWWLPB-UHFFFAOYSA-N
MW443.38 g/mol
LogP5.25
Rot. Bonds7

About 5,6-bis(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine

5,6-bis(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine (PubChem CID 71199797) has the molecular formula C23H24Cl2N4O and a molecular weight of 443.38 g/mol. Its IUPAC name is 5,6-bis(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine.

Molecular Properties

Compound Name5,6-bis(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine
PubChem CID71199797
Molecular FormulaC23H24Cl2N4O
Molecular Weight443.38 g/mol
Exact Mass442.13
IUPAC Name5,6-bis(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine
SMILESClc1ccc(-c2ncc(NCCCN3CCOCC3)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H24Cl2N4O/c24-19-6-2-17(3-7-19)22-23(18-4-8-20(25)9-5-18)28-21(16-27-22)26-10-1-11-29-12-14-30-15-13-29/h2-9,16H,1,10-15H2,(H,26,28)
InChIKeyTZVLTLCABWWLPB-UHFFFAOYSA-N
XLogP5.25
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.38
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-morpholin-4-ylpropyl)-5-phenylpyridin-2-amine
CID 141285664
4-(4-chlorophenyl)-2-methylsulfanyl-6-(3-morpholin-4-ylpropylamino)pyrimidine-5-carbonitrile
CID 20997604
6-bromo-N-(3-morpholin-4-ylpropyl)pyridin-2-amine
CID 63961941
2,5-dichloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 79633494
2-(4-bromophenyl)-6-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 68860928
5-(3-chlorophenyl)-4-N-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 68862429
5-(4-chlorophenyl)-4-methyl-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 171989086
5-chloro-N-(3-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 62993016
6-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazol-2-amine
CID 171705164
2-N-(4-chlorophenyl)-4-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidine-2,4-diamine
CID 21080855
N-[(4-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6457087
4-chloro-N-(2-morpholin-4-ylethyl)aniline
CID 28580807

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine?
The IUPAC name of 5,6-bis(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine (CID 71199797) is 5,6-bis(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine.
What is the SMILES notation for 5,6-bis(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine?
The canonical SMILES for 5,6-bis(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine is Clc1ccc(-c2ncc(NCCCN3CCOCC3)nc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 5,6-bis(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine?
The InChIKey is TZVLTLCABWWLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N4O/c24-19-6-2-17(3-7-19)22-23(18-4-8-20(25)9-5-18)28-21(16-27-22)26-10-1-11-29-12-14-30-15-13-29/h2-9,16H,1,10-15H2,(H,26,28).
What are the key properties of 5,6-bis(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine?
5,6-bis(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine has a molecular weight of 443.38 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)pyrazin-2-amine is sourced from PubChem (CID 71199797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).