2-(4-bromo-3-methylanilino)-N-(2-methoxyethyl)pyrimidine-5-carboxamide

C15H17BrN4O2 — CID 109251455

IUPAC2-(4-bromo-3-methylanilino)-N-(2-methoxyethyl)pyrimidine-5-carboxamide
SMILESCOCCNC(=O)c1cnc(Nc2ccc(Br)c(C)c2)nc1
InChIInChI=1S/C15H17BrN4O2/c1-10-7-12(3-4-13(10)16)20-15-18-8-11(9-19-15)14(21)17-5-6-22-2/h3-4,7-9H,5-6H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyXPLHNIUQNUNNSB-UHFFFAOYSA-N
MW365.23 g/mol
LogP2.67
Rot. Bonds6

About 2-(4-bromo-3-methylanilino)-N-(2-methoxyethyl)pyrimidine-5-carboxamide

2-(4-bromo-3-methylanilino)-N-(2-methoxyethyl)pyrimidine-5-carboxamide (PubChem CID 109251455) has the molecular formula C15H17BrN4O2 and a molecular weight of 365.23 g/mol. Its IUPAC name is 2-(4-bromo-3-methylanilino)-N-(2-methoxyethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-bromo-3-methylanilino)-N-(2-methoxyethyl)pyrimidine-5-carboxamide
PubChem CID109251455
Molecular FormulaC15H17BrN4O2
Molecular Weight365.23 g/mol
Exact Mass364.05
IUPAC Name2-(4-bromo-3-methylanilino)-N-(2-methoxyethyl)pyrimidine-5-carboxamide
SMILESCOCCNC(=O)c1cnc(Nc2ccc(Br)c(C)c2)nc1
InChIInChI=1S/C15H17BrN4O2/c1-10-7-12(3-4-13(10)16)20-15-18-8-11(9-19-15)14(21)17-5-6-22-2/h3-4,7-9H,5-6H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyXPLHNIUQNUNNSB-UHFFFAOYSA-N
XLogP2.67
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 52.67
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

2-(3-bromo-4-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248556
2-[4-(diethylamino)anilino]-N-(2-methoxyethyl)pyrimidine-5-carboxamide
CID 109251441
2-anilino-N-(4-bromo-3-methylphenyl)pyrimidine-5-carboxamide
CID 109265249
N-benzyl-2-(3-bromo-4-methylanilino)pyrimidine-5-carboxamide
CID 109255309
2-(3,5-dimethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-5-carboxamide
CID 109262764
2-(4-bromo-3-methylanilino)-N-butyl-N-methylpyrimidine-5-carboxamide
CID 109263948
2-(3-acetylanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251797
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251823
N-(4-bromo-3-methylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247227
N-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-5-carboxamide
CID 109251444
2-(3,4-dimethylanilino)-N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266758
N-(4-bromo-3-methylphenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959594

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-methylanilino)-N-(2-methoxyethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-bromo-3-methylanilino)-N-(2-methoxyethyl)pyrimidine-5-carboxamide (CID 109251455) is 2-(4-bromo-3-methylanilino)-N-(2-methoxyethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-bromo-3-methylanilino)-N-(2-methoxyethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-bromo-3-methylanilino)-N-(2-methoxyethyl)pyrimidine-5-carboxamide is COCCNC(=O)c1cnc(Nc2ccc(Br)c(C)c2)nc1.
What is the InChIKey of 2-(4-bromo-3-methylanilino)-N-(2-methoxyethyl)pyrimidine-5-carboxamide?
The InChIKey is XPLHNIUQNUNNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O2/c1-10-7-12(3-4-13(10)16)20-15-18-8-11(9-19-15)14(21)17-5-6-22-2/h3-4,7-9H,5-6H2,1-2H3,(H,17,21)(H,18,19,20).
What are the key properties of 2-(4-bromo-3-methylanilino)-N-(2-methoxyethyl)pyrimidine-5-carboxamide?
2-(4-bromo-3-methylanilino)-N-(2-methoxyethyl)pyrimidine-5-carboxamide has a molecular weight of 365.23 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-methylanilino)-N-(2-methoxyethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109251455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).