N-(4-bromo-3-methylphenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine

C16H19BrN4O — CID 112869966

IUPACN-(4-bromo-3-methylphenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ccc(Br)c(C)c2)cc(N2CCOCC2)n1
InChIInChI=1S/C16H19BrN4O/c1-11-9-13(3-4-14(11)17)20-15-10-16(19-12(2)18-15)21-5-7-22-8-6-21/h3-4,9-10H,5-8H2,1-2H3,(H,18,19,20)
InChIKeyWXVGVHOAQWFIRP-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.44
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine

N-(4-bromo-3-methylphenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 112869966) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID112869966
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC NameN-(4-bromo-3-methylphenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
SMILESCc1nc(Nc2ccc(Br)c(C)c2)cc(N2CCOCC2)n1
InChIInChI=1S/C16H19BrN4O/c1-11-9-13(3-4-14(11)17)20-15-10-16(19-12(2)18-15)21-5-7-22-8-6-21/h3-4,9-10H,5-8H2,1-2H3,(H,18,19,20)
InChIKeyWXVGVHOAQWFIRP-UHFFFAOYSA-N
XLogP3.44
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869918
2-methyl-6-morpholin-4-yl-N-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 112869941
2,4,6-trimethyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 46268127
methyl 3-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
CID 112869947
N-(1-ethenyl-2-methylimino-4-pyridinyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine;molecular hydrogen
CID 142337023
2,4-dichloro-5-methyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122297485
2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-6-morpholin-4-ylpyrimidin-4-amine
CID 112869912
3,5-difluoro-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122297492
4-cyano-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122297534
2-(4-fluorophenyl)-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122297275
3,5-dimethyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-4-sulfonamide
CID 50753147
N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 112869929

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine (CID 112869966) is N-(4-bromo-3-methylphenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine is Cc1nc(Nc2ccc(Br)c(C)c2)cc(N2CCOCC2)n1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is WXVGVHOAQWFIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-11-9-13(3-4-14(11)17)20-15-10-16(19-12(2)18-15)21-5-7-22-8-6-21/h3-4,9-10H,5-8H2,1-2H3,(H,18,19,20).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine?
N-(4-bromo-3-methylphenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 363.26 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-methyl-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 112869966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).