N-(4-bromo-3-methylphenyl)-6-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrimidine-4-carboxamide

C20H26BrN5O3 — CID 59258645

IUPACN-(4-bromo-3-methylphenyl)-6-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCOCCN(C)c1cc(C(=O)Nc2ccc(Br)c(C)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H26BrN5O3/c1-14-12-15(4-5-16(14)21)22-19(27)17-13-18(25(2)6-9-28-3)24-20(23-17)26-7-10-29-11-8-26/h4-5,12-13H,6-11H2,1-3H3,(H,22,27)
InChIKeyXYZDDUNWFVSCIT-UHFFFAOYSA-N
MW464.36 g/mol
LogP2.72
Rot. Bonds7

About N-(4-bromo-3-methylphenyl)-6-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrimidine-4-carboxamide

N-(4-bromo-3-methylphenyl)-6-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 59258645) has the molecular formula C20H26BrN5O3 and a molecular weight of 464.36 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-6-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-6-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID59258645
Molecular FormulaC20H26BrN5O3
Molecular Weight464.36 g/mol
Exact Mass463.12
IUPAC NameN-(4-bromo-3-methylphenyl)-6-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCOCCN(C)c1cc(C(=O)Nc2ccc(Br)c(C)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C20H26BrN5O3/c1-14-12-15(4-5-16(14)21)22-19(27)17-13-18(25(2)6-9-28-3)24-20(23-17)26-7-10-29-11-8-26/h4-5,12-13H,6-11H2,1-3H3,(H,22,27)
InChIKeyXYZDDUNWFVSCIT-UHFFFAOYSA-N
XLogP2.72
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[2-methoxyethyl(methyl)amino]-N-(2-methylquinolin-6-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 59258570
N-(2,3-dimethyl-1H-indol-5-yl)-6-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 59258718
6-[bis(2-hydroxyethyl)amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 11568703
6-[dimethylcarbamoyl(methyl)amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 90805752
6-methyl-2-morpholin-4-yl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109324299
6-(dibutylamino)-N-(2,3-dimethyl-2,3-dihydro-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 58725427
N-(4-bromo-3-methylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364774
N-(4-ethylphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324267
N-(3-methoxyphenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324293
N-(4-fluorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324278
N-(3-bromophenyl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 11620156
N-[3-[methyl(propan-2-yl)amino]phenyl]-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidine-4-carboxamide
CID 59258746

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-6-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-6-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrimidine-4-carboxamide (CID 59258645) is N-(4-bromo-3-methylphenyl)-6-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-6-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-6-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrimidine-4-carboxamide is COCCN(C)c1cc(C(=O)Nc2ccc(Br)c(C)c2)nc(N2CCOCC2)n1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-6-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is XYZDDUNWFVSCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrN5O3/c1-14-12-15(4-5-16(14)21)22-19(27)17-13-18(25(2)6-9-28-3)24-20(23-17)26-7-10-29-11-8-26/h4-5,12-13H,6-11H2,1-3H3,(H,22,27).
What are the key properties of N-(4-bromo-3-methylphenyl)-6-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrimidine-4-carboxamide?
N-(4-bromo-3-methylphenyl)-6-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 464.36 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-6-[2-methoxyethyl(methyl)amino]-2-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 59258645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).