N-(2-bromophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide

C16H17BrN4O2 — CID 109365478

IUPACN-(2-bromophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccccc2Br)cc(N2CCOCC2)n1
InChIInChI=1S/C16H17BrN4O2/c1-11-18-14(10-15(19-11)21-6-8-23-9-7-21)16(22)20-13-5-3-2-4-12(13)17/h2-5,10H,6-9H2,1H3,(H,20,22)
InChIKeyWDZLMBJIQYBMGO-UHFFFAOYSA-N
MW377.24 g/mol
LogP2.64
Rot. Bonds3

About N-(2-bromophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide

N-(2-bromophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 109365478) has the molecular formula C16H17BrN4O2 and a molecular weight of 377.24 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID109365478
Molecular FormulaC16H17BrN4O2
Molecular Weight377.24 g/mol
Exact Mass376.05
IUPAC NameN-(2-bromophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2ccccc2Br)cc(N2CCOCC2)n1
InChIInChI=1S/C16H17BrN4O2/c1-11-18-14(10-15(19-11)21-6-8-23-9-7-21)16(22)20-13-5-3-2-4-12(13)17/h2-5,10H,6-9H2,1H3,(H,20,22)
InChIKeyWDZLMBJIQYBMGO-UHFFFAOYSA-N
XLogP2.64
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidine-4-carboxamide
CID 109365473
N-(2-methoxyphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365446
methyl 2-[(2-methyl-6-morpholin-4-ylpyrimidine-4-carbonyl)amino]benzoate
CID 109365464
2-methyl-6-morpholin-4-yl-N-phenylpyrimidine-4-carboxamide
CID 109365407
N-(2,3-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365497
N-(2,6-dimethylphenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365418
N-(2,4-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365493
N-(3,4-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365492
N-(2-ethylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362787
2-methyl-6-morpholin-4-yl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360582
2-methyl-N-[(2-methylphenyl)methyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365345
6-(azepan-1-yl)-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847686

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 109365478) is N-(2-bromophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide is Cc1nc(C(=O)Nc2ccccc2Br)cc(N2CCOCC2)n1.
What is the InChIKey of N-(2-bromophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is WDZLMBJIQYBMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O2/c1-11-18-14(10-15(19-11)21-6-8-23-9-7-21)16(22)20-13-5-3-2-4-12(13)17/h2-5,10H,6-9H2,1H3,(H,20,22).
What are the key properties of N-(2-bromophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide?
N-(2-bromophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 377.24 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109365478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).