N-[1-(4-bromophenyl)ethylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine

C17H20BrN5O — CID 3409848

IUPACN-[1-(4-bromophenyl)ethylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCC(=NNc1cc(C)nc(N2CCOCC2)n1)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrN5O/c1-12-11-16(20-17(19-12)23-7-9-24-10-8-23)22-21-13(2)14-3-5-15(18)6-4-14/h3-6,11H,7-10H2,1-2H3,(H,19,20,22)
InChIKeyWMJBKPFZPWDPIN-UHFFFAOYSA-N
MW390.29 g/mol
LogP3.22
Rot. Bonds4

About N-[1-(4-bromophenyl)ethylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine

N-[1-(4-bromophenyl)ethylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine (PubChem CID 3409848) has the molecular formula C17H20BrN5O and a molecular weight of 390.29 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
PubChem CID3409848
Molecular FormulaC17H20BrN5O
Molecular Weight390.29 g/mol
Exact Mass389.09
IUPAC NameN-[1-(4-bromophenyl)ethylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
SMILESCC(=NNc1cc(C)nc(N2CCOCC2)n1)c1ccc(Br)cc1
InChIInChI=1S/C17H20BrN5O/c1-12-11-16(20-17(19-12)23-7-9-24-10-8-23)22-21-13(2)14-3-5-15(18)6-4-14/h3-6,11H,7-10H2,1-2H3,(H,19,20,22)
InChIKeyWMJBKPFZPWDPIN-UHFFFAOYSA-N
XLogP3.22
TPSA62.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-N-methyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 171980798
2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
CID 5368217
4-N-(3-bromophenyl)-2-N-[1-(4-chlorophenyl)ethylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 3589879
2,4-dibromo-6-[4-[2-[1-(4-bromophenyl)ethylidene]hydrazinyl]-6-methylpyrimidin-2-yl]phenol
CID 3099399
N-(3,5-dimethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912311
N-cycloheptyl-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 112912292
N-[(Z)-(2-fluorophenyl)methylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 6165117
ethyl 4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
CID 659609
N-[(Z)-(2-methoxyphenyl)methylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 6279740
2-N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 171978815
3,4-dimethyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 53047898
4-bromo-2-[[(2,6-dimorpholin-4-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 2852856

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[1-(4-bromophenyl)ethylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine (CID 3409848) is N-[1-(4-bromophenyl)ethylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)ethylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-(4-bromophenyl)ethylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine is CC(=NNc1cc(C)nc(N2CCOCC2)n1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is WMJBKPFZPWDPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN5O/c1-12-11-16(20-17(19-12)23-7-9-24-10-8-23)22-21-13(2)14-3-5-15(18)6-4-14/h3-6,11H,7-10H2,1-2H3,(H,19,20,22).
What are the key properties of N-[1-(4-bromophenyl)ethylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine?
N-[1-(4-bromophenyl)ethylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 390.29 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethylideneamino]-6-methyl-2-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 3409848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).