N-[4-(2,4-dichlorophenyl)pyrimidin-5-yl]-1-morpholin-4-ylethanimine

C16H16Cl2N4O — CID 91568783

IUPACN-[4-(2,4-dichlorophenyl)pyrimidin-5-yl]-1-morpholin-4-ylethanimine
SMILESC/C(=N\c1cncnc1-c1ccc(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C16H16Cl2N4O/c1-11(22-4-6-23-7-5-22)21-15-9-19-10-20-16(15)13-3-2-12(17)8-14(13)18/h2-3,8-10H,4-7H2,1H3/b21-11+
InChIKeyOKCFAGOBSBKGGK-SRZZPIQSSA-N
MW351.24 g/mol
LogP3.83
Rot. Bonds2

About N-[4-(2,4-dichlorophenyl)pyrimidin-5-yl]-1-morpholin-4-ylethanimine

N-[4-(2,4-dichlorophenyl)pyrimidin-5-yl]-1-morpholin-4-ylethanimine (PubChem CID 91568783) has the molecular formula C16H16Cl2N4O and a molecular weight of 351.24 g/mol. Its IUPAC name is N-[4-(2,4-dichlorophenyl)pyrimidin-5-yl]-1-morpholin-4-ylethanimine.

Molecular Properties

Compound NameN-[4-(2,4-dichlorophenyl)pyrimidin-5-yl]-1-morpholin-4-ylethanimine
PubChem CID91568783
Molecular FormulaC16H16Cl2N4O
Molecular Weight351.24 g/mol
Exact Mass350.07
IUPAC NameN-[4-(2,4-dichlorophenyl)pyrimidin-5-yl]-1-morpholin-4-ylethanimine
SMILESC/C(=N\c1cncnc1-c1ccc(Cl)cc1Cl)N1CCOCC1
InChIInChI=1S/C16H16Cl2N4O/c1-11(22-4-6-23-7-5-22)21-15-9-19-10-20-16(15)13-3-2-12(17)8-14(13)18/h2-3,8-10H,4-7H2,1H3/b21-11+
InChIKeyOKCFAGOBSBKGGK-SRZZPIQSSA-N
XLogP3.83
TPSA50.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dichlorophenyl)pyrimidin-5-yl]-1-morpholin-4-ylethanimine?
The IUPAC name of N-[4-(2,4-dichlorophenyl)pyrimidin-5-yl]-1-morpholin-4-ylethanimine (CID 91568783) is N-[4-(2,4-dichlorophenyl)pyrimidin-5-yl]-1-morpholin-4-ylethanimine.
What is the SMILES notation for N-[4-(2,4-dichlorophenyl)pyrimidin-5-yl]-1-morpholin-4-ylethanimine?
The canonical SMILES for N-[4-(2,4-dichlorophenyl)pyrimidin-5-yl]-1-morpholin-4-ylethanimine is C/C(=N\c1cncnc1-c1ccc(Cl)cc1Cl)N1CCOCC1.
What is the InChIKey of N-[4-(2,4-dichlorophenyl)pyrimidin-5-yl]-1-morpholin-4-ylethanimine?
The InChIKey is OKCFAGOBSBKGGK-SRZZPIQSSA-N. The full InChI is InChI=1S/C16H16Cl2N4O/c1-11(22-4-6-23-7-5-22)21-15-9-19-10-20-16(15)13-3-2-12(17)8-14(13)18/h2-3,8-10H,4-7H2,1H3/b21-11+.
What are the key properties of N-[4-(2,4-dichlorophenyl)pyrimidin-5-yl]-1-morpholin-4-ylethanimine?
N-[4-(2,4-dichlorophenyl)pyrimidin-5-yl]-1-morpholin-4-ylethanimine has a molecular weight of 351.24 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dichlorophenyl)pyrimidin-5-yl]-1-morpholin-4-ylethanimine is sourced from PubChem (CID 91568783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).