N-(4-bromo-2-methylphenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide

C16H19BrN4O2 — CID 109252001

IUPACN-(4-bromo-2-methylphenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
SMILESCOCCCNc1ncc(C(=O)Nc2ccc(Br)cc2C)cn1
InChIInChI=1S/C16H19BrN4O2/c1-11-8-13(17)4-5-14(11)21-15(22)12-9-19-16(20-10-12)18-6-3-7-23-2/h4-5,8-10H,3,6-7H2,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyOIVSUSPBBTWGPZ-UHFFFAOYSA-N
MW379.26 g/mol
LogP3.25
Rot. Bonds7

About N-(4-bromo-2-methylphenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide

N-(4-bromo-2-methylphenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide (PubChem CID 109252001) has the molecular formula C16H19BrN4O2 and a molecular weight of 379.26 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
PubChem CID109252001
Molecular FormulaC16H19BrN4O2
Molecular Weight379.26 g/mol
Exact Mass378.07
IUPAC NameN-(4-bromo-2-methylphenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
SMILESCOCCCNc1ncc(C(=O)Nc2ccc(Br)cc2C)cn1
InChIInChI=1S/C16H19BrN4O2/c1-11-8-13(17)4-5-14(11)21-15(22)12-9-19-16(20-10-12)18-6-3-7-23-2/h4-5,8-10H,3,6-7H2,1-2H3,(H,21,22)(H,18,19,20)
InChIKeyOIVSUSPBBTWGPZ-UHFFFAOYSA-N
XLogP3.25
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 53.25
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-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228337
N-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184527
N-(2-bromophenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109251998
N-(2-methoxyethyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109251301
2-[3-(dimethylamino)propylamino]-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109253552
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109252020
6-amino-N-(4-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 62151975
N-(4-bromo-2-methylphenyl)-6-(3-methylbutylamino)pyridine-3-carboxamide
CID 109161206
N-(4-bromo-2-methylphenyl)-4-methoxy-3-(2-methoxyethylsulfamoyl)benzamide
CID 17455890
2-(4-bromoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266398
N-(4-bromo-2-methylphenyl)-3,4-dimethylbenzamide
CID 789005
N-(4-bromophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263792

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide (CID 109252001) is N-(4-bromo-2-methylphenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide is COCCCNc1ncc(C(=O)Nc2ccc(Br)cc2C)cn1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide?
The InChIKey is OIVSUSPBBTWGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O2/c1-11-8-13(17)4-5-14(11)21-15(22)12-9-19-16(20-10-12)18-6-3-7-23-2/h4-5,8-10H,3,6-7H2,1-2H3,(H,21,22)(H,18,19,20).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide?
N-(4-bromo-2-methylphenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide has a molecular weight of 379.26 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109252001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).