N-(2-bromophenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide

C15H17BrN4O2 — CID 109251998

IUPACN-(2-bromophenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
SMILESCOCCCNc1ncc(C(=O)Nc2ccccc2Br)cn1
InChIInChI=1S/C15H17BrN4O2/c1-22-8-4-7-17-15-18-9-11(10-19-15)14(21)20-13-6-3-2-5-12(13)16/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyJGHOQJUFJREJHR-UHFFFAOYSA-N
MW365.23 g/mol
LogP2.94
Rot. Bonds7

About N-(2-bromophenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide

N-(2-bromophenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide (PubChem CID 109251998) has the molecular formula C15H17BrN4O2 and a molecular weight of 365.23 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
PubChem CID109251998
Molecular FormulaC15H17BrN4O2
Molecular Weight365.23 g/mol
Exact Mass364.05
IUPAC NameN-(2-bromophenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
SMILESCOCCCNc1ncc(C(=O)Nc2ccccc2Br)cn1
InChIInChI=1S/C15H17BrN4O2/c1-22-8-4-7-17-15-18-9-11(10-19-15)14(21)20-13-6-3-2-5-12(13)16/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyJGHOQJUFJREJHR-UHFFFAOYSA-N
XLogP2.94
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 52.94
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-(2-bromophenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153234
N-(4-bromo-2-methylphenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109252001
N-(2-bromophenyl)-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323995
N-(2-methoxyethyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109251301
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109252020
N-(2-bromophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266961
N-(2-methylphenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263756
N-(2-bromophenyl)-6-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109154344
3-N-(2-bromophenyl)-1-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052632
2-bromo-N-(4-methoxybutyl)aniline
CID 115735649
N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260301
4-N-(2-bromophenyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886323

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-bromophenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide (CID 109251998) is N-(2-bromophenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide is COCCCNc1ncc(C(=O)Nc2ccccc2Br)cn1.
What is the InChIKey of N-(2-bromophenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide?
The InChIKey is JGHOQJUFJREJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O2/c1-22-8-4-7-17-15-18-9-11(10-19-15)14(21)20-13-6-3-2-5-12(13)16/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,20,21)(H,17,18,19).
What are the key properties of N-(2-bromophenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide?
N-(2-bromophenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide has a molecular weight of 365.23 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109251998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).