N-(4-bromo-3-methylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide

C16H19BrN4O2 — CID 109364774

IUPACN-(4-bromo-3-methylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
SMILESCOCCNc1cc(C(=O)Nc2ccc(Br)c(C)c2)nc(C)n1
InChIInChI=1S/C16H19BrN4O2/c1-10-8-12(4-5-13(10)17)21-16(22)14-9-15(18-6-7-23-3)20-11(2)19-14/h4-5,8-9H,6-7H2,1-3H3,(H,21,22)(H,18,19,20)
InChIKeyMQZUIOXAFUFWKJ-UHFFFAOYSA-N
MW379.26 g/mol
LogP3.17
Rot. Bonds6

About N-(4-bromo-3-methylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide

N-(4-bromo-3-methylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109364774) has the molecular formula C16H19BrN4O2 and a molecular weight of 379.26 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
PubChem CID109364774
Molecular FormulaC16H19BrN4O2
Molecular Weight379.26 g/mol
Exact Mass378.07
IUPAC NameN-(4-bromo-3-methylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
SMILESCOCCNc1cc(C(=O)Nc2ccc(Br)c(C)c2)nc(C)n1
InChIInChI=1S/C16H19BrN4O2/c1-10-8-12(4-5-13(10)17)21-16(22)14-9-15(18-6-7-23-3)20-11(2)19-14/h4-5,8-9H,6-7H2,1-3H3,(H,21,22)(H,18,19,20)
InChIKeyMQZUIOXAFUFWKJ-UHFFFAOYSA-N
XLogP3.17
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dichlorophenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364786
6-(2-methoxyethylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109364699
N-(4-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365095
6-(2-methoxyethylamino)-2-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109364749
N-[4-(diethylamino)phenyl]-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364760
N-(3-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109366096
N-(3-bromophenyl)-6-(3-methoxypropylamino)-2-methylpyrimidine-4-carboxamide
CID 109365130
6-(3-methoxypropylamino)-2-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109365060
N-(3-bromo-4-methylphenyl)-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113829
6-(2-methoxyethylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360580
6-[3-(dimethylamino)propylamino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109366623
N-(2-ethylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide
CID 109364710

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide (CID 109364774) is N-(4-bromo-3-methylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide is COCCNc1cc(C(=O)Nc2ccc(Br)c(C)c2)nc(C)n1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is MQZUIOXAFUFWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O2/c1-10-8-12(4-5-13(10)17)21-16(22)14-9-15(18-6-7-23-3)20-11(2)19-14/h4-5,8-9H,6-7H2,1-3H3,(H,21,22)(H,18,19,20).
What are the key properties of N-(4-bromo-3-methylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide?
N-(4-bromo-3-methylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 379.26 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-6-(2-methoxyethylamino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109364774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).