5-bromo-3-N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]pyrazine-2,3-diamine

C21H24BrN7O2 — CID 88934760

IUPAC5-bromo-3-N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]pyrazine-2,3-diamine
SMILESNc1ncc(Br)nc1NCc1cccc(-c2ncc(OCCN3CCOCC3)cn2)c1
InChIInChI=1S/C21H24BrN7O2/c22-18-14-24-19(23)21(28-18)25-11-15-2-1-3-16(10-15)20-26-12-17(13-27-20)31-9-6-29-4-7-30-8-5-29/h1-3,10,12-14H,4-9,11H2,(H2,23,24)(H,25,28)
InChIKeyFCXZRKOMYZGILA-UHFFFAOYSA-N
MW486.37 g/mol
LogP2.60
Rot. Bonds8

About 5-bromo-3-N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]pyrazine-2,3-diamine

5-bromo-3-N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]pyrazine-2,3-diamine (PubChem CID 88934760) has the molecular formula C21H24BrN7O2 and a molecular weight of 486.37 g/mol. Its IUPAC name is 5-bromo-3-N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]pyrazine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-3-N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]pyrazine-2,3-diamine
PubChem CID88934760
Molecular FormulaC21H24BrN7O2
Molecular Weight486.37 g/mol
Exact Mass485.12
IUPAC Name5-bromo-3-N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]pyrazine-2,3-diamine
SMILESNc1ncc(Br)nc1NCc1cccc(-c2ncc(OCCN3CCOCC3)cn2)c1
InChIInChI=1S/C21H24BrN7O2/c22-18-14-24-19(23)21(28-18)25-11-15-2-1-3-16(10-15)20-26-12-17(13-27-20)31-9-6-29-4-7-30-8-5-29/h1-3,10,12-14H,4-9,11H2,(H2,23,24)(H,25,28)
InChIKeyFCXZRKOMYZGILA-UHFFFAOYSA-N
XLogP2.60
TPSA111.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

CID 58289690
CID 58289690
3-[5-amino-6-[[3-[5-(2-piperazin-1-ylethoxy)pyrimidin-2-yl]phenyl]methylamino]pyrazin-2-yl]benzonitrile
CID 130351524
4-[2-[2-[3-(chloromethyl)phenyl]pyrimidin-5-yl]oxyethyl]morpholine;hydrochloride
CID 66985501
N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-2-nitro-5-propylsulfanylaniline
CID 58289700
4-[2-[2-[3-[(5-chlorobenzotriazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine
CID 58289756
4-[2-[2-[3-[(7-fluoro-2,6-dimethylbenzimidazol-1-yl)methyl]phenyl]pyrimidin-5-yl]oxyethyl]morpholine
CID 90937313
3-[1-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-6-oxopyridazin-3-yl]benzonitrile
CID 68509959
3-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 46833194
5-[(3,5-difluorophenyl)methyl]-3-N-[[3-[5-(piperidin-4-ylmethoxy)pyrimidin-2-yl]phenyl]methyl]pyrazine-2,3-diamine
CID 130351416
2-N-[[3-[5-[3-(dimethylamino)propoxy]pyrimidin-2-yl]phenyl]methyl]-6-methoxypyridine-2,3-diamine
CID 130351658
6-[1-(2-methoxyethyl)pyrazol-4-yl]-2-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one
CID 46836396
6-imino-N-methyl-1-[2-[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]ethanimidoyl]pyridazine-3-carboxamide
CID 90753862

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]pyrazine-2,3-diamine?
The IUPAC name of 5-bromo-3-N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]pyrazine-2,3-diamine (CID 88934760) is 5-bromo-3-N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]pyrazine-2,3-diamine.
What is the SMILES notation for 5-bromo-3-N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]pyrazine-2,3-diamine?
The canonical SMILES for 5-bromo-3-N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]pyrazine-2,3-diamine is Nc1ncc(Br)nc1NCc1cccc(-c2ncc(OCCN3CCOCC3)cn2)c1.
What is the InChIKey of 5-bromo-3-N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]pyrazine-2,3-diamine?
The InChIKey is FCXZRKOMYZGILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN7O2/c22-18-14-24-19(23)21(28-18)25-11-15-2-1-3-16(10-15)20-26-12-17(13-27-20)31-9-6-29-4-7-30-8-5-29/h1-3,10,12-14H,4-9,11H2,(H2,23,24)(H,25,28).
What are the key properties of 5-bromo-3-N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]pyrazine-2,3-diamine?
5-bromo-3-N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]pyrazine-2,3-diamine has a molecular weight of 486.37 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-N-[[3-[5-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]phenyl]methyl]pyrazine-2,3-diamine is sourced from PubChem (CID 88934760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).