Compound C21H24BrN5O

2-[4-(5-bromo-3-methyl-2-pyridinyl)butylamino]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one

CAS: 86181-42-2

Molecular Formula	`C21H24BrN5O`
Molecular Weight	442.4 g/mol
LogP	3.7
Topological Polar Surface Area	79.3 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	8
Exact Mass	441.11642
Heavy Atoms	28
Complexity	593.0

Chemical Identifiers

CAS Number	86181-42-2
SMILES	`CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCCCC3=NC=C(C=C3C)Br`
InChIKey	`OGEAASSLWZDQBM-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H24BrN5O (CAS: 86181-42-2) is a chemical compound with molecular formula C21H24BrN5O and molecular weight 442.4 g/mol. Its IUPAC systematic name is 2-[4-(5-bromo-3-methyl-2-pyridinyl)butylamino]-5-[(6-methyl-3-pyridinyl)methyl]-1H-pyrimidin-6-one. LogP 3.7 Topological Polar Surface Area 79.3 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 8 Exact Mass 441.11642 Heavy Atoms 28 Complexity 593.0 InChI Key: OGEAASSLWZDQBM-UHFFFAOYSA-N. SMILES: CC1=NC=C(C=C1)CC2=CN=C(NC2=O)NCCCCC3=NC=C(C=C3C)Br.

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