2-(4-bromoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide

C14H15BrN4O2 — CID 109299902

IUPAC2-(4-bromoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1ccnc(Nc2ccc(Br)cc2)n1
InChIInChI=1S/C14H15BrN4O2/c1-21-9-8-16-13(20)12-6-7-17-14(19-12)18-11-4-2-10(15)3-5-11/h2-7H,8-9H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyDUZZMTSAQLHEIQ-UHFFFAOYSA-N
MW351.20 g/mol
LogP2.36
Rot. Bonds6

About 2-(4-bromoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide

2-(4-bromoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide (PubChem CID 109299902) has the molecular formula C14H15BrN4O2 and a molecular weight of 351.20 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
PubChem CID109299902
Molecular FormulaC14H15BrN4O2
Molecular Weight351.20 g/mol
Exact Mass350.04
IUPAC Name2-(4-bromoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1ccnc(Nc2ccc(Br)cc2)n1
InChIInChI=1S/C14H15BrN4O2/c1-21-9-8-16-13(20)12-6-7-17-14(19-12)18-11-4-2-10(15)3-5-11/h2-7H,8-9H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyDUZZMTSAQLHEIQ-UHFFFAOYSA-N
XLogP2.36
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-bromoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromo-4-methylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300266
N-[2-(4-methoxyphenoxy)ethyl]-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109311143
N-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109299931
2-(2-bromo-4-methylanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109299940
2-(4-bromoanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307676
2-(2,6-diethylanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109299885
2-(4-bromoanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109310871
2-(4-chloroanilino)-N-propylpyrimidine-4-carboxamide
CID 109295039
2-(cyclopropylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109295527
2-(butan-2-ylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109297087
2-(3-chloro-2-methylanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109299894
2-(4-methylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312095

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-bromoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide (CID 109299902) is 2-(4-bromoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-bromoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide is COCCNC(=O)c1ccnc(Nc2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide?
The InChIKey is DUZZMTSAQLHEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O2/c1-21-9-8-16-13(20)12-6-7-17-14(19-12)18-11-4-2-10(15)3-5-11/h2-7H,8-9H2,1H3,(H,16,20)(H,17,18,19).
What are the key properties of 2-(4-bromoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide?
2-(4-bromoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide has a molecular weight of 351.20 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109299902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).